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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Yakuchinone b

C20H22O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Yakuchinone b
Molecular Formula
C20H22O3
Molecular Weight
No data
Canonical SMILES
COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CCCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3/b13-11+
Oral Bioavailability
9.134
Drug Likeness
0.581
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
02
ICAM1
intercellular adhesion molecule 1
intercellular adhesion molecule 1
DetailsGraph
03
JUN
Jun proto-oncogene, AP-1 transcription factor subunit
Jun proto-oncogene, AP-1 transcription factor subunit
DetailsGraph
06
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2
DetailsGraph
07
RELA
RELA proto-oncogene, NF-kB subunit
RELA proto-oncogene, NF-kB subunit
DetailsGraph