01
丹参
Dan Shen / Radix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
Dan ShenRadix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
Ingredients
(3r)-5-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-1-decalinyl]-3-methylpent-1-en-3-ol
C20H34O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3r)-5-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-1-decalinyl]-3-methylpent-1-en-3-ol
- Molecular Formula
- C20H34O
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C
- Isomeric SMILES
- C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[C@](C)(C=C)O)(C)C
- InChI
- InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.678
- 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 ingredient4 Herbs