01
Ingredients
(4r,4ar,6ar,6as,6br,8ar,10s,12as)-4,10-dihydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14-dodecahydro-1h-picen-13-one
C30H48O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4r,4ar,6ar,6as,6br,8ar,10s,12as)-4,10-dihydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14-dodecahydro-1h-picen-13-one
- Molecular Formula
- C30H48O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CC(C2(CCC3(C(=C2C1)CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)O)C
- Isomeric SMILES
- C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)CC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)O)(C)C)C)(C)C)O
- InChI
- InChI=1S/C30H48O3/c1-25(2)16-19-18-15-20(31)24-28(6)11-10-22(32)26(3,4)21(28)9-12-30(24,8)29(18,7)14-13-27(19,5)23(33)17-25/h21-24,32-33H,9-17H2,1-8H3/t21-,22-,23+,24+,27+,28-,29+,30+/m0/s1
- Oral Bioavailability
- 36.353
- Drug Likeness
- 0.411
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs
