Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Atractylenolide i

C15H18O2

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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: Atractylenolide i
Molecular Formula: C15H18O2
Molecular Weight: No data
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
Isomeric SMILES: CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
InChI: InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
Oral Bioavailability: 37.365
Drug Likeness: 0.470
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs Active Targets

Active Targets

ingredient target8 Targets

Graph More Targets

01

acetylcholinesterase (Cartwright blood group)

acetylcholinesterase (Cartwright blood group)

02

AKT serine/threonine kinase 1

AKT serine/threonine kinase 1

03

androgen receptor

androgen receptor

04

cyclin B1

cyclin B1

05

cell division cycle 25C

cell division cycle 25C

06

cyclin dependent kinase 1

cyclin dependent kinase 1

07

cholinergic receptor nicotinic alpha 7 subunit

cholinergic receptor nicotinic alpha 7 subunit

08

cytochrome P450 family 19 subfamily A member 1

cytochrome P450 family 19 subfamily A member 1