01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Euscaphic acid 3,4-monoacetonide
- Molecular Formula
- C33H52O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(C)C)OC(O6)(C)C)C)C)C2C1(C)O)C)C(=O)O
- Isomeric SMILES
- C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]6[C@H](C5(C)C)OC(O6)(C)C)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
- InChI
- InChI=1S/C33H52O5/c1-19-12-15-33(26(34)35)17-16-30(7)20(24(33)32(19,9)36)10-11-23-29(6)18-21-25(38-28(4,5)37-21)27(2,3)22(29)13-14-31(23,30)8/h10,19,21-25,36H,11-18H2,1-9H3,(H,34,35)/t19-,21-,22+,23-,24-,25-,29+,30-,31-,32-,33+/m1/s1
- Oral Bioavailability
- 11.504
- Drug Likeness
- 0.359
- 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.
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