01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Belamcandal
- Molecular Formula
- C32H48O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCCC(=C)C=CC=C(COC(=O)C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C
- Isomeric SMILES
- CC(=CCCC(=C)/C=C/C=C(\COC(=O)C)/[C@@H]1CC[C@@]2([C@@H]1O)[C@@H](/C(=C(\C)/C=O)/CC[C@]2(C)O)CCCO)C
- InChI
- InChI=1S/C32H48O6/c1-22(2)10-7-11-23(3)12-8-13-26(21-38-25(5)35)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10,12-13,20,28-30,33,36-37H,3,7,9,11,14-19,21H2,1-2,4-6H3/b12-8+,26-13+,27-24+/t28-,29+,30+,31-,32-/m0/s1
- Oral Bioavailability
- 30.072
- Drug Likeness
- 0.101
- 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.