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Striatoid A
- Family: Fungi - Hericiaceae
- Kingdom: Fungi
-
Class: Terpenoid
- Subclass: Cyathane Diterpenoid
| Canonical Smiles | CO[C@@H]1O[C@@]2(O)[C@@H](CO[C@@H]3C2([C@@H]2C1=CC[C@H]1[C@@]([C@H]2O3)(C)CC[C@@]2(C1=C(CC2)C(C)C)C)O)OC(=O)C |
|---|---|
| InChI | InChI=1S/C28H40O8/c1-14(2)16-9-10-25(4)11-12-26(5)18(20(16)25)8-7-17-21-22(26)35-24-27(21,30)28(31,36-23(17)32-6)19(13-33-24)34-15(3)29/h7,14,18-19,21-24,30-31H,8-13H2,1-6H3/t18-,19-,21-,22+,23-,24+,25-,26-,27?,28+/m1/s1 |
| InChIKey | YOIRZGLRYKSCLR-CVJGJJLASA-N |
| Formula | C28H40O8 |
| HBA | 8 |
| HBD | 2 |
| MW | 504.62 |
| Rotatable Bonds | 3 |
| TPSA | 103.68 |
| LogP | 3.21 |
| Number Rings | 6 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.82 |
| Exact Mass | 504.27 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Laxitextum incrustatum | Hericiaceae | Fungi | 1812024 |
Showing of synonyms
Striatoid A
Pubchem:
100918567
No compound-protein relationship available.
SMILES: C1CCC(C=12)CCC3C4C5C6C(O4)OCCC6OCC5=CCC23
Level: 0
Mol. Weight: 504.62 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.85
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -4.690
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Inhibitor
- P-Glycoprotein Substrate
- Substrate
- Skin Permeability
- -2.24
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.930
- Plasma Protein Binding
- 77.94
- 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
- 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
- Substrate
- OATP1B1
- Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 9.720
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- -0.360
- Biodegradation
- Safe
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- -0.420
- Liver Injury II
- Safe
- hERG Blockers
- Toxic
- Daphnia Maga
- 8.550
- Micronucleos
- Toxic
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Toxic
- NR-PPAR-gamma
- Safe
- NR-TR
- Toxic
- T. Pyriformis
- -664.560
- Rat (Acute)
- 3.460
- Rat (Chronic Oral)
- 2.590
- Fathead Minnow
- 3.790
- Respiratory Disease
- Safe
- Skin Sensitisation
- Safe
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Toxic
- SR-p53
- Safe
General Properties
- Boiling Point
- 407.830
- Hydration Free Energy
- -2.870
- Log(D) at pH=7.4
- 3.390
- Log(P)
- 3.94
- Log S
- -4.86
- Log(Vapor Pressure)
- -8.97
- Melting Point
- 207.21
- pKa Acid
- 6.1
- pKa Basic
- 3.34
No predicted protein targets found for this compound.