01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Toosendanone a
- Molecular Formula
- C30H48O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CC(C4C5CCC(C5O)C(C)(C)O)O)C)C)C
- Isomeric SMILES
- C[C@]12CCC(=O)C([C@@H]1CC=C3[C@@H]2CC[C@@]4([C@@]3(C[C@@H]([C@H]4[C@H]5CC[C@H]([C@@H]5O)C(C)(C)O)O)C)C)(C)C
- InChI
- InChI=1S/C30H48O4/c1-26(2)22-11-10-19-18(28(22,5)14-13-23(26)32)12-15-29(6)24(21(31)16-30(19,29)7)17-8-9-20(25(17)33)27(3,4)34/h10,17-18,20-22,24-25,31,33-34H,8-9,11-16H2,1-7H3/t17-,18+,20-,21+,22+,24-,25-,28-,29+,30-/m1/s1
- Oral Bioavailability
- 19.077
- Drug Likeness
- 0.477
- 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