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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Ajmalicine

C21H24N2O3

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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
Ajmalicine
Molecular Formula
C21H24N2O3
Molecular Weight
No data
Canonical SMILES
CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45
Isomeric SMILES
C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45
InChI
InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.801
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
04
CYP1A2
cytochrome P450 family 1 subfamily A member 2
cytochrome P450 family 1 subfamily A member 2
DetailsGraph
05
CYP2C19
cytochrome P450 family 2 subfamily C member 19
cytochrome P450 family 2 subfamily C member 19
DetailsGraph
06
CYP2C9
cytochrome P450 family 2 subfamily C member 9
cytochrome P450 family 2 subfamily C member 9
DetailsGraph
07
CYP2D6
cytochrome P450 family 2 subfamily D member 6
cytochrome P450 family 2 subfamily D member 6
DetailsGraph
08
CYP3A4
cytochrome P450 family 3 subfamily A member 4
cytochrome P450 family 3 subfamily A member 4
DetailsGraph