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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

3beta-hydroxy-atractylon

C15H20O2

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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
3beta-hydroxy-atractylon
Molecular Formula
C15H20O2
Molecular Weight
No data
Canonical SMILES
CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)O
Isomeric SMILES
CC1=COC2=C1C[C@H]3C(=C)[C@H](CC[C@@]3(C2)C)O
InChI
InChI=1S/C15H20O2/c1-9-8-17-14-7-15(3)5-4-13(16)10(2)12(15)6-11(9)14/h8,12-13,16H,2,4-7H2,1,3H3/t12-,13-,15+/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.697
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
AKR1C1
aldo-keto reductase family 1 member C1
aldo-keto reductase family 1 member C1
DetailsGraph
03
AKR1C2
aldo-keto reductase family 1 member C2
aldo-keto reductase family 1 member C2
DetailsGraph
05
CHRM1
cholinergic receptor muscarinic 1
cholinergic receptor muscarinic 1
DetailsGraph
06
CHRM2
cholinergic receptor muscarinic 2
cholinergic receptor muscarinic 2
DetailsGraph
07
CHRM3
cholinergic receptor muscarinic 3
cholinergic receptor muscarinic 3
DetailsGraph
08
CHRM4
cholinergic receptor muscarinic 4
cholinergic receptor muscarinic 4
DetailsGraph