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Ascorbic acid
- Family: Plantae - Cruciferae
- Kingdom: Plantae
- Class: Lactone
| Canonical Smiles | OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O |
|---|---|
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
| InChIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
| Formula | C6H8O6 |
| HBA | 6 |
| HBD | 4 |
| MW | 176.12 |
| Rotatable Bonds | 2 |
| TPSA | 107.22 |
| LogP | -1.41 |
| Number Rings | 1 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.5 |
| Exact Mass | 176.03 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Lepidium sativum | Cruciferae | Plantae | 33125 |
Showing of synonyms
Ascorbic acid
L-ascorbic acid
Vitamin C
Ascoltin
Ascorbicap
Cevitamic acid
Laroscorbine
Testascorbic
Allercorb
Ascorbajen
Ascorbutina
Ascorteal
Ascorvit
Cantaxin
Cebicure
Cegiolan
Celaskon
Cenetone
Cescorbat
Cetemican
Cevatine
Cevitamin
Citriscorb
Colascor
Concemin
Lemascorb
Proscorbin
Roscorbic
Secorbate
Viforcit
Viscorin
Vitacimin
Vitamisin
Vitascorbol
Adenex
Ascorb
Ascorin
Cantan
Cebion
Cebione
Ceglion
Cemagyl
Cemill
Cereon
Cergona
Cetamid
Cevimin
Cevital
Cevitan
Cevitex
Ciamin
Redoxon
Ribena
Vicelat
Vitace
Vitacee
Vitacin
Cebid
Cecon
Celin
Cevex
Cipca
Hicee
Xitix
Davitamon C
Arco-cee
Planavit C
Catavin C
Ce lent
Liqui-Cee
Vicomin C
Cee-Vite
Cevi-Bid
Scorbacid
Scorbu-C
Duoscorb
C-Level
C-Vimin
Cetane-Caps TD
Cewin
C-Long
C-Quin
C-Span
Meri-C
Cee-Caps TD
Cevalin
Ce-Mi-Lin
Acidum ascorbicum
Natrascorb injectable
IDO-C
Acidum ascorbinicum
CE-VI-Sol
Acido ascorbico
Acide ascorbique
Kyselina askorbova
Dora-C-500
Ascorbicab
Caswell No. 061B
FEMA No. 2109
Ascorbinsaeure
(+)-Ascorbic acid
Ascor
NCI-C54808
Ascorbicum acidum
Acide ascorbique [INN-French]
Acido ascorbico [INN-Spanish]
Acidum ascorbicum [INN-Latin]
CCRIS 57
Chewcee
Citrovit
HSDB 818
Juvamine
Vasc
UNII-PQ6CK8PD0R
PQ6CK8PD0R
Rovimix C
Scorbu C
EINECS 200-066-2
NSC 33832
Ronotec 100
INS NO.300
DTXSID5020106
Rontex 100
CHEBI:29073
INS-300
E-300
NSC-33832
NSC-218455
E300
DTXCID90106
Ascorbic acid [USP:INN:BAN:JAN]
NSC 218455
Cevibid
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one
ASCORBIC ACID (II)
ASCORBIC ACID [II]
Ascorbinsaure
ASCORBIC ACID (MART.)
ASCORBIC ACID [MART.]
Acide ascorbique (INN-French)
Acido ascorbico (INN-Spanish)
Acidum ascorbicum (INN-Latin)
ASCORBIC ACID (USP-RS)
ASCORBIC ACID [USP-RS]
NSC33832
Ascorbic acid (USP:INN:BAN:JAN)
ASCORBIC ACID (EP MONOGRAPH)
ASCORBIC ACID [EP MONOGRAPH]
ASCORBIC ACID (USP MONOGRAPH)
ASCORBIC ACID [USP MONOGRAPH]
Acid, Ascorbic
(5R)-5-((1S)-1,2-DIHYDROXYETHYL)-3,4-DIHYDROXYFURAN-2(5H)-ONE
DTXSID7048112
Ascorbinezuur
Asorbicap
Clairfore
CleanFlex
New Clairfore
Vitamine C
Vitamina C
HICELl
Ascorbic Acid1505
NEO-VALDRIN
VITA RICH
Dr Cellapy SR Premium
VIT C
AROMACURA SHOWER FILTER
CHEBI:22652
DTXCID50820452
CHEBI:176783
Celladix C.E.F ADVANCED BRIGHTENING AMPOULE
2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one
200-066-2
50-81-7
L-ascorbate
L(+)-Ascorbic acid
Cenolate
Hybrin
Natrascorb
Antiscorbic vitamin
L-Lyxoascorbic acid
L-Xyloascorbic acid
Antiscorbutic vitamin
Cetane-Caps TC
3-Oxo-L-gulofuranolactone
3-Keto-L-gulofuranolactone
L-(+)-Ascorbic Acid
Ascor-B.I.D.
(R)-5-((S)-1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one
Cortalex
Ferancee
Stuartinic
Tolfrinic
L-Threoascorbic acid
Antiscorbutic factor
L-3-Ketothreohexuronic acid lactone
Chromagen
Kyselina askorbova [Czech]
Sodascorbate
L-threo-Hex-2-enonic acid, gamma-lactone
L-threo-Ascorbic acid
3-Oxo-L-gulofuranolactone (enol form)
MFCD00064328
Ascorbic acid, l-
Cetebe
Ascorbin
Ascorbyl radical
Hex-2-enonic acid gamma-lactone, L-threo-
L-Ascorbic acid (GMP)
Component of E and C-Level
Component of Endoglobin Forte
Vitamin c (as ascorbic acid)
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
Component of Cortalex
Component of Ferancee
6730-29-6
NCGC00164357-01
L-Ascorbic acid 1000 microg/mL in Acetonitrile
Kangbingfeng
53262-66-1
Ceklin
Parentrovite
Cell C
Viscorin 100M
Suncoat VC 40
Ascorbicap (TN)
Xyloascorbic acid, L-
Ascoltin (TN)
[14C]ascorbic acid
Ascorbic acid [BAN:INN:JAN]
[14C]-ascorbic acid
Ascorbic acid (vit C)
L-Ascorbic acid, meets USP testing specifications
2-(1,2-Dihydroxyethyl)-4,5-dihydroxyfuran-3-one
Cevitamate
L-lyxoascorbate
L-xyloascorbate
.Ascorbinsaure
3eka
Ester C
(+)-ascorbate
L(+)-ascorbate
L-threo-hex-2-enono-1,4-lactone
L-Ascorbic acid, free radical form
L-(+)-ascorbate
E 300
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
Prestwick3_000325
L-Ascorbic acid, 99%
ASCOR (TN)
SCHEMBL785
Hex-1-enofuranos-3-ulose
Bmse000182
VITAMIN C [VANDF]
Vitamin C (Ascorbic acid)
ASCORBIC ACID [MI]
SCHEMBL4430
L-Ascorbic acid (Standard)
ASCORBIC ACID [FCC]
ASCORBIC ACID [INN]
ASCORBIC ACID [JAN]
L-Ascorbic acid, FCC, FG
L-Ascorbic Acid, Free Acid
ASCORBIC ACID [FHFI]
ASCORBIC ACID [HSDB]
BSPBio_000329
(r)-5-(1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one
MLS002153776
ASCORBIC ACID [VANDF]
CHEMBL40274
L-Ascorbic acid, cell culture
BPBio1_000363
GTPL4532
GTPL4781
L-Ascorbic acid, reagent grade
ASCORBIC ACID [WHO-DD]
ASCORBIC ACID [WHO-IP]
L-Ascorbic acid, >=99.0%
HY-B0166G
HY-B0166R
DTXSID50986567
MSK1523
Ascorbic acid (JP17/USP/INN)
DTXSID801344780
HMS2096A11
HMS2231N16
HMS3713A11
L-Ascorbic acid ACS reagent grade
(2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-dihydroxy-furan-3-one
ASCORBIC ACID [ORANGE BOOK]
BCP27915
HY-B0166
L-Threoascorbic acid,Antiscorbutic factor,Vitamin C
Tox21_110315
Tox21_112104
Tox21_202127
Tox21_302958
Gamma-lactone L-threo-Hex-2-enonate
HB1238
L-Ascorbic acid, analytical standard
L-Ascorbic acid, AR, >=99.5%
S3114
AKOS016843589
Tox21_112104_1
CCG-207946
DB00126
FA00736
L-Ascorbic acid, mixt. with vitamin B
ACIDUM ASCORBICUM [WHO-IP LATIN]
Gamma-lactone L-threo-Hex-2-enonic acid
L-Ascorbic acid, ACS reagent, >=99%
NCGC00091517-01
NCGC00091517-02
NCGC00091517-03
NCGC00091517-06
NCGC00188972-01
NCGC00256504-01
NCGC00259676-01
BP-12831
DA-61251
DA-61252
SMR001233160
L-Ascorbic acid, plant cell culture tested
L-Ascorbic acid, reagent grade, crystalline
A0537
AB00376923
Ascorbic Acid (L-Ascorbic Acid
Vitamin C)
CS-0626121
NS00001126
SW198791-2
L-Ascorbic acid, BioUltra, >=99.5% (RT)
L-Ascorbic acid, tested according to Ph.Eur.
C00072
D00018
E80759
EN300-708766
L-Ascorbic acid, p.a., ACS reagent, 99.0%
2,3-DEHYDRO-L-THREO-HEXONO-1,4-LACTONE
AB00376923_04
AB00376923_05
L-Ascorbic acid, JIS special grade, >=99.0%
L-Ascorbic acid, Vetec(TM) reagent grade, 99%
L-Ascorbic acid, BioXtra, >=99.0%, crystalline
Q199678
L-Ascorbic acid, puriss. p.a., >=99.0% (RT)
Q27101942
47A605F0-4187-47A8-B0CE-F9E7DA1B0076
L-Ascorbic acid, p.a., ACS reagent, reag. ISO, 99.7%
Ascorbic acid, British Pharmacopoeia (BP) Reference Standard
Ascorbic acid, European Pharmacopoeia (EP) Reference Standard
L-Ascorbic acid, certified reference material, TraceCERT(R)
L-Ascorbic acid, powder, cell culture tested, gamma-irradiated
Ascorbic acid, United States Pharmacopeia (USP) Reference Standard
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)
L-Ascorbic acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99%
L-Ascorbic acid, suitable for cell culture, suitable for plant cell culture, >=98%
L-Ascorbic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.7-100.5% (oxidimetric)
- El-Haggar M, El-Hosseiny L, et al. (2021). Phytochemical investigation, antimicrobial and cytotoxic activities of suspension cultures of Lepidium sativum L.. South African Journal of Botany, 2021, 138, 500-505. [View]
Pubchem:
54670067
Cas:
50-81-7
Gnps:
CCMSLIB00005883696
Zinc:
ZINC000100006770
Kegg Ligand:
C00072
Chebi:
29073
Nmrshiftdb2:
60020605
Metabolights:
MTBLC29073
Chembl:
CHEMBL196
Comptox:
DTXSID5020106
Drugbank:
DB00126
Pdb Ligand:
ASC
Selleck:
vitamin-c-ascorbic-acid
CPRiL:
1634
SMILES: O=C1C=CCO1
Level: 0
Mol. Weight: 176.12 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.29
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.84
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.64
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.55
- Plasma Protein Binding
- 13.16
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 3.11
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- -0.9
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- 2.09
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 3.41
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- -0.39
- Rat (Acute)
- 0.86
- Rat (Chronic Oral)
- 2.75
- Fathead Minnow
- 2.92
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 367.81
- Hydration Free Energy
- -19.92
- Log(D) at pH=7.4
- -2.05
- Log(P)
- -2.34
- Log S
- -
- Log(Vapor Pressure)
- -10.19
- Melting Point
- 157.45
- pKa Acid
- 4.44
- pKa Basic
- 4.14
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.8690 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.8308 |
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.7823 |
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.7602 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.7508 |
| Shikimate kinase | P9WPY3 | AROK_MYCTU | Mycobacterium tuberculosis | 3 | 0.7419 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.7385 |
| 3-dehydroquinate dehydratase | P9WPX7 | AROQ_MYCTU | Mycobacterium tuberculosis | 3 | 0.7334 |
| Lactose operon repressor | P03023 | LACI_ECOLI | Escherichia coli | 3 | 0.7223 |
| Glycogenin-1 | P46976 | GLYG_HUMAN | Homo sapiens | 3 | 0.7116 |
| Pyridoxal kinase, putative | C4LVZ4 | C4LVZ4_ENTHI | Entamoeba histolytica | 3 | 0.7106 |
| N-acylamino acid racemase | Q9RYA6 | Q9RYA6_DEIRA | Deinococcus radiodurans | 3 | 0.7056 |