01
Ingredients
(1s,2r,4as,6as,6ar,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
C29H44O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1s,2r,4as,6as,6ar,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
- Molecular Formula
- C29H44O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5=C)O)O)C)C)C2C1C)C)C(=O)O
- Isomeric SMILES
- C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5=C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
- InChI
- InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)/t16-,17+,19+,21-,22-,23+,24-,26+,27-,28-,29+/m1/s1
- Oral Bioavailability
- 19.564
- Drug Likeness
- 0.450
- 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 ingredient2 Herbs
