01
Ingredients
(4r)-4-[(5r,10s,13r,14r,17r)-3,7,11,15-tetraketo-4,4,10,13,14-pentamethyl-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
C27H36O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4r)-4-[(5r,10s,13r,14r,17r)-3,7,11,15-tetraketo-4,4,10,13,14-pentamethyl-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
- Molecular Formula
- C27H36O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(CCC(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C
- Isomeric SMILES
- C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
- InChI
- InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)/t14-,15-,18+,25+,26-,27+/m1/s1
- Oral Bioavailability
- 10.066
- Drug Likeness
- 0.674
- 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