01
Ingredients
(20s)-3beta,12beta,16beta,25-pentahydroxydammar-23-ene
C30H52O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (20s)-3beta,12beta,16beta,25-pentahydroxydammar-23-ene
- Molecular Formula
- C30H52O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CCC3(C(C2(CCC1O)C)CC(C4C3(CC(C4C(C)(CC=CC(C)(C)O)O)O)C)O)C)C
- Isomeric SMILES
- C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(C[C@@H]([C@@H]4[C@](C)(C/C=C/C(C)(C)O)O)O)C)O)C)(C)C)O
- InChI
- InChI=1S/C30H52O5/c1-25(2,34)12-9-13-30(8,35)24-19(32)17-29(7)23(24)18(31)16-21-27(5)14-11-22(33)26(3,4)20(27)10-15-28(21,29)6/h9,12,18-24,31-35H,10-11,13-17H2,1-8H3/b12-9+/t18-,19+,20+,21-,22+,23-,24+,27+,28-,29-,30+/m1/s1
- Oral Bioavailability
- 37.942
- Drug Likeness
- 0.374
- 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