01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Rubiatriol
- Molecular Formula
- C30H50O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C)O
- Isomeric SMILES
- CC(C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3[C@@H](C[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)C)C)O
- InChI
- InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.425
- 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.