Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

104086-74-0

C20H30O3

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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: 104086-74-0
Molecular Formula: C20H30O3
Molecular Weight: No data
Canonical SMILES: CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C
Isomeric SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@@H]3O)C=O)C=O)(C)C
InChI: InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17-,19-,20-/m0/s1
Oral Bioavailability: 21.852
Drug Likeness: 0.790
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.

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herb ingredient8 Herbs

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