01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Triptotriterpenoidel lactone a
- Molecular Formula
- C31H48O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC23CC(CC2=O)C4(C(=CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C3C1)C)C
- Isomeric SMILES
- C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4C3([C@@H]5CC(=O)[C@@]6(C5)[C@H]4CC(CC6)(C)C)C)C)(C)C)O
- InChI
- InChI=1S/C31H48O2/c1-26(2)14-15-31-17-19(16-25(31)33)30(7)20(21(31)18-26)8-9-23-28(5)12-11-24(32)27(3,4)22(28)10-13-29(23,30)6/h8,19,21-24,32H,9-18H2,1-7H3/t19-,21+,22?,23?,24+,28+,29-,30?,31+/m1/s1
- Oral Bioavailability
- 19.132
- Drug Likeness
- 0.390
- 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 ingredient3 Herbs