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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Gmelofuran

C15H18O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
14

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Gmelofuran
Molecular Formula
C15H18O3
Molecular Weight
No data
Canonical SMILES
CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C
Isomeric SMILES
C[C@H]1C[C@@H]2[C@H](CC(=O)C3=COC(=C23)C1=O)C(C)C
InChI
InChI=1S/C15H18O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10H,4-5H2,1-3H3/t8-,9+,10+/m0/s1
Oral Bioavailability
46.329
Drug Likeness
0.762
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

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Direct relations and traceable candidates grouped by relation type.

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