01
Ingredients
(4as,6ar,6br,8ar,9r,10s,12as,13r,14as,14bs)-10-acetoxy-13-hydroxy-2,2,6b,9,12a,14a-hexamethyl-9-methylol-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
C32H50O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4as,6ar,6br,8ar,9r,10s,12as,13r,14as,14bs)-10-acetoxy-13-hydroxy-2,2,6b,9,12a,14a-hexamethyl-9-methylol-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
- Molecular Formula
- C32H50O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1CCC2(C(C1(C)CO)CCC3(C2C(CC4(C3=CCC5(C4CC(CC5)(C)C)C(=O)O)C)O)C)C
- Isomeric SMILES
- CC(=O)O[C@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@@]3([C@@H]2[C@@H](C[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)O)C)C
- InChI
- InChI=1S/C32H50O6/c1-19(34)38-24-10-12-29(5)22(31(24,7)18-33)8-11-28(4)21-9-13-32(26(36)37)15-14-27(2,3)17-23(32)30(21,6)16-20(35)25(28)29/h9,20,22-25,33,35H,8,10-18H2,1-7H3,(H,36,37)/t20-,22-,23+,24+,25+,28+,29+,30-,31+,32-/m1/s1
- Oral Bioavailability
- 17.838
- Drug Likeness
- 0.317
- 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.
Active Targets
ingredient target1 Targets