Ergosterol
IUPAC name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Number: 57-87-4
Class: Terpenoid
Mushrooms contain this compound
7 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 1 |
เห็ดหลินจือ |
Lingzhi |
Ganoderma lucidum ( Curtis ) P. Karst. |
Ganodermataceae |
| 2 |
ถั่งเช่าทิเบต |
caterpillar fungus |
Cordyceps sinensis (Berk.) Sacc. |
Ophiocordycipitaceae |
| 3 |
เห็ดแครง |
Spit gills |
Schizophyllum commune Fr. |
Schizophyllaceae |
| 5 |
เห็ดนางรมขาว |
Oyster mushroom |
Pleurotus ostreatus (Jacq.ex.Fr) Kummer |
Pleurotaceae |
| 9 |
เห็ดหูหนู |
Jew's ear |
Auricularia auricular-judae (Hooker) Underw. |
Auriculariaceae |
| 20 |
เห็ดกระดุม |
button mushroom |
Agaricus bisporus |
Agaricaceae |
| 30 |
เห็ดมันปู |
Chanterelle |
Cantharellus cibarius Fr. |
Cantharellaceae |
2D Structure
Compound Properties
SMILES
O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C
Physicochemical Properties
| Formula |
C28H44O |
| Molecular wieght(g/mol) |
396.65 |
| Num. of Heavy atoms |
29 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.79 |
| Num. of Rotatable bonds |
4 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
127.47 |
| TPSA (square Angstrom) |
20.23 |
Lipophilicity
| iLOGP |
4.81 |
| XLOGP3 |
7.43 |
| WLOGP |
7.33 |
| MLOGP |
6.33 |
| Silicos-IT LOGP |
6.44 |
| Consensus LOGP |
6.47 |
Water Solubility
| ESOL |
|
| LogS |
-6.72 |
Solubility(mg/ml) |
7.63E-05 |
Solubility(mol/l) |
1.92E-07 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-7.69 |
Solubility(mg/ml) |
8.17E-06 |
Solubility(mol/l) |
2.06E-08 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-5.06 |
Solubility(mg/ml) |
3.45E-03 |
Solubility(mol/l) |
8.69E-06 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
Yes |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-3.44 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
2 |
| Veber Num. violations |
0 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
6.58 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
8 |
| Cytotoxicity |
8 |
| Anti-HIV |
8 |
| Antitumour |
8 |
| Hypotensive |
8 |
| Antiplatelet aggregation |
8 |
| Antihypertension |
8 |
| Hypocholesterolemic |
8 |
| Antioxidant |
8 |
| Antibacterial |
8 |
| Hepatoprotective |
8 |
| Antiallergic |
8 |
| Enzyme inhibitors |
8 |
| Cytotoxicity |
12 |
| Antimicrobial |
12 |
