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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

1,4-di(p-tolyl)-trans-2-buten-1,4-dione

C18H16O2

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
1,4-di(p-tolyl)-trans-2-buten-1,4-dione
Molecular Formula
C18H16O2
Molecular Weight
No data
Canonical SMILES
CC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=C(C=C2)C
Isomeric SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H16O2/c1-13-3-7-15(8-4-13)17(19)11-12-18(20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+
Oral Bioavailability
39.900
Drug Likeness
0.619
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 HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph