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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Lupulone

C26H38O4

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Lupulone
Molecular Formula
C26H38O4
Molecular Weight
No data
Canonical SMILES
CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O
Isomeric SMILES
CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O
InChI
InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3
Oral Bioavailability
4.572
Drug Likeness
0.319
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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