OSADHI - Online Structural and Analytics based Database for Herbs of India

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List of plants having phytochemicals: Scoparic acid B



Sl. No Plant Name
1Scoparia dulcis

Details of Scoparic acid B




General Information
IUPAC (1R,4aR,8R,8aR)-8-benzoyloxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Canonical Smiles CC(=O)CCC1C(=C)C[C@H]([C@@H]2[C@@]1(CCC[C@@]2(C)C(=O)O)C)OC(=O)C3=CC=CC=C3
Inchi AHUXFULECQULHT-RVHSXHLLSA-N
PubChem ID 512740
Smiles C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)C1CCC(C)=O
2D Structure
3D Structure
C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)C1CCC(C)=O
Classification
Class Norlabdane diterpenoids
Super Class Diterpenoids
Pathways Terpenoids
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