Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010525

Phytochemical name: Glandulone A

Synonymous chemical names:
Glandulone A, glandulone a

External chemical identifiers:
CID:CID_11357032

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Chemical structure information

SMILES:
CC(C1=CC(=O)C(=CC1=O)C)CC/C=C(/C=O)\C

InChI:
InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+

InChIKey:
RBVBEULSUHQTPE-BJMVGYQFSA-N

DeepSMILES:
CCC=CC=O)C=CC6=O)))C)))))CC/C=C/C=O))\C

Functional groups:
CC1=CC(=O)C(C)=CC1=O, C/C=C(\C)C=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C=C1

Scaffold Graph/Node level:
OC1CCC(O)CC1

Scaffold Graph level:
CC1CCC(C)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.359

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Chemical structure download