01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- N-tigloylbuxahyrcanine
- Molecular Formula
- C31H52N2O2
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(C)C(=O)NC1CCC2(CC3=CCC4(C(CCC4(C3CCC2C1(C)C)C)C(C)N(C)C)C)O
- Isomeric SMILES
- C/C=C(\C)/C(=O)N[C@H]1CC[C@@]2(CC3=CC[C@@]4([C@H](CC[C@]4([C@@H]3CC[C@H]2C1(C)C)C)[C@H](C)N(C)C)C)O
- InChI
- InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1
- Oral Bioavailability
- No data
- 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 ingredient1 Herbs