01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Cyclokoreanine b
- Molecular Formula
- C27H46N2O
- Molecular Weight
- No data
- Canonical SMILES
- CC(C1C(CC2(C1(C=CC34C2CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C)O)NC
- Isomeric SMILES
- C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(C=C[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@H](C5(C)C)N(C)C)C)C)O)NC
- InChI
- InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h13-14,17-22,28,30H,9-12,15-16H2,1-8H3/t17-,18+,19-,20-,21+,22-,24+,25-,26+,27-/m0/s1
- Oral Bioavailability
- 17.482
- Drug Likeness
- 0.657
- 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