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Geddic acid
- Family: Plantae - Leguminosae/Fabaceae
- Kingdom: Plantae
-
Class: Lipid
- Subclass: Fatty Acid
| Canonical Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
|---|---|
| InChI | InChI=1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h2-33H2,1H3,(H,35,36) |
| InChIKey | UTGPYHWDXYRYGT-UHFFFAOYSA-N |
| Formula | C34H68O2 |
| HBA | 1 |
| HBD | 1 |
| MW | 508.92 |
| Rotatable Bonds | 32 |
| TPSA | 37.3 |
| LogP | 12.57 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.97 |
| Exact Mass | 508.52 |
| Number of Lipinski Rule Violations | 2 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Croton oligandrus | Euphorbiaceae | Plantae | 3170015 |
| 2 | Eriosema glomerata | Leguminosae/Fabaceae | Plantae | 109225 |
Showing of synonyms
Geddic acid
Tetratriacontanoic acid
Gheddic acid
38232-04-1
N-tetratriacontanoic acid
VE67QZ85C0
C34:0
UNII-VE67QZ85C0
Ghedoic acid
SCHEMBL135988
CHEBI:76216
DTXSID00191624
LMFA01010034
FA 34:0
Q2823321
- Awouafack MD, Kouam SF, et al. (2008). Antimicrobial prenylated dihydrochalcones from Eriosema glomerata.. Planta medica,2008, 74(1), 50-54. [View] [PubMed]
- Yannick Stephane FF, Dawe A, et al. (2021). Crotoliganfuran, a new clerodane-type furano-diterpenoid from <i>Croton oligandrus</i> Pierre ex Hutch.. Natural product research,2021, 35(1), 63-71. [View] [PubMed]
Pubchem:
94485
Cas:
38232-04-1
Zinc:
ZINC000059065631
Chebi:
76216
Nmrshiftdb2:
60027118
Metabolights:
MTBLC76216
Comptox:
DTXSID00191624
No compound-protein relationship available.
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.99
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.94
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Substrate
- Skin Permeability
- -3.31
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 2.46
- Plasma Protein Binding
- 53.72
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- 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
- 1.77
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 0.46
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Safe
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.04
- Liver Injury II
- Safe
- hERG Blockers
- Toxic
- Daphnia Maga
- 4.56
- 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
- Toxic
- T. Pyriformis
- -325.12
- Rat (Acute)
- 1.73
- Rat (Chronic Oral)
- 3.08
- Fathead Minnow
- 4.42
- 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
- 520.59
- Hydration Free Energy
- -3.17
- Log(D) at pH=7.4
- 7.6
- Log(P)
- 16.58
- Log S
- -6.0
- Log(Vapor Pressure)
- -11.52
- Melting Point
- 102.12
- pKa Acid
- 6.93
- pKa Basic
- 8.2
No predicted protein targets found for this compound.