Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Atractylenolide iii

C15H20O3

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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: Atractylenolide iii
Molecular Formula: C15H20O3
Molecular Weight: No data
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
Isomeric SMILES: CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
Oral Bioavailability: 68.113
Drug Likeness: 0.529
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

Source Herbs

herb ingredient8 Herbs

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Chuan Dang Shen / Codonopsis Tangshen

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04

Qiu Hua Dang Shen / Codonopsis Subglobosa

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05

Bai Zhu / Rhizoma Atractylodis Macrocephalae; Atractylodis Macrocephalae Rhizoma

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Bai Mao Xia Ku Cao / Herha Ajugae Ciliatae

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Ying Su Qiao / Pericarpium Papaveris; Papaveris Pericarpium

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Zhong Jie Feng / Herba Sarcandrae; Sarcandrae Herba

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