Summary

IMPPAT Phytochemical identifier: IMPHY012829

Phytochemical name: Dihydrocostunolide

Synonymous chemical names:
dihydrocostunolide

External chemical identifiers:
CID:5367639

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Chemical structure information

SMILES:
C/C/1=C/C2OC(=O)C(C2CC/C(=CCC1)/C)C

InChI:
InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5-,11-9-

InChIKey:
OVDMFKGCVWVONO-GYIATTAWSA-N

DeepSMILES:
C/C=C/COC=O)CC5CC/C=CCC%13)))/C)))))C

Functional groups:
C/C=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC=CCCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.086

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Chemical structure download