01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Triptofordin b1
- Molecular Formula
- C29H34O6
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CC(C3(C(CCC(C3(C2)O1)(C)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)C
- Isomeric SMILES
- C[C@@]1(CC[C@@H]([C@@]2([C@]13C[C@@H](C[C@@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C5=CC=CC=C5)O
- InChI
- InChI=1S/C29H34O6/c1-26(2)21-17-23(34-25(31)20-13-9-6-10-14-20)28(4)22(33-24(30)19-11-7-5-8-12-19)15-16-27(3,32)29(28,18-21)35-26/h5-14,21-23,32H,15-18H2,1-4H3/t21-,22+,23+,27+,28+,29+/m1/s1
- Oral Bioavailability
- 39.552
- Drug Likeness
- 0.627
- 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 ingredient3 Herbs
