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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

3-butylphthalide

C12H14O2

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
3-butylphthalide
Molecular Formula
C12H14O2
Molecular Weight
No data
Canonical SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
Isomeric SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
Oral Bioavailability
No data
Drug Likeness
0.684
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
02
APP
amyloid beta precursor protein
amyloid beta precursor protein
DetailsGraph
03
BDNF
brain derived neurotrophic factor
brain derived neurotrophic factor
DetailsGraph
05
ICAM1
intercellular adhesion molecule 1
intercellular adhesion molecule 1
DetailsGraph