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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Breviscapine

C21H18O12

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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
Breviscapine
Molecular Formula
C21H18O12
Molecular Weight
No data
Canonical SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
Isomeric SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)
Oral Bioavailability
No data
Drug Likeness
0.253
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
03
CYP3A4
cytochrome P450 family 3 subfamily A member 4
cytochrome P450 family 3 subfamily A member 4
DetailsGraph
05
HES1
hes family bHLH transcription factor 1
hes family bHLH transcription factor 1
DetailsGraph
06
HES4
hes family bHLH transcription factor 4
hes family bHLH transcription factor 4
DetailsGraph
07
MAP3K7
mitogen-activated protein kinase kinase kinase 7
mitogen-activated protein kinase kinase kinase 7
DetailsGraph
08
MAPK1
mitogen-activated protein kinase 1
mitogen-activated protein kinase 1
DetailsGraph