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

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List of plants having phytochemicals: NEOCLOROGENIC-ACID



Sl. No Plant Name
1Vaccinium myrtillus

Details of NEOCLOROGENIC-ACID




General Information
IUPAC (E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
Canonical Smiles CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)O)C)C
Inchi BLDWFKHVHHINGR-FYJGNVAPSA-N
PubChem ID 6438568
Smiles CC(C)=CCCC1(C)CC(O)c2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C=CC(C)C(=O)O)C4=O)C3=O
2D Structure
3D Structure
CC(C)=CCCC1(C)CC(O)c2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C=CC(C)C(=O)O)C4=O)C3=O
Classification
Class Terpenoids
Super Class Shikimates and Phenylpropanoids
Pathways Polyketides
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A database of all the medicinal plants having PAN India presence.
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