01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- N-isobutyroylbuxahyrcanine
- Molecular Formula
- C30H52N2O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C(=O)NC1CCC2(CC3=CCC4(C(CCC4(C3CCC2C1(C)C)C)C(C)N(C)C)C)O
- Isomeric SMILES
- C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@](C3)(CC[C@@H](C4(C)C)NC(=O)C(C)C)O)C)C)N(C)C
- InChI
- InChI=1S/C30H52N2O2/c1-19(2)26(33)31-25-14-17-30(34)18-21-12-15-28(6)22(20(3)32(8)9)13-16-29(28,7)23(21)10-11-24(30)27(25,4)5/h12,19-20,22-25,34H,10-11,13-18H2,1-9H3,(H,31,33)/t20-,22+,23+,24-,25-,28+,29-,30-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.509
- 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