Summary

IMPPAT Phytochemical identifier: IMPHY002626

Phytochemical name: (6Z)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione

Synonymous chemical names:
dehydrocurdione

External chemical identifiers:
CID:14191392

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Chemical structure information

SMILES:
C/C/1=C/CCC(C)C(=O)CC(=C(C)C)C(=O)C1

InChI:
InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-

InChIKey:
ZYPUZCWWTYIGFV-WDZFZDKYSA-N

DeepSMILES:
C/C=C/CCCC)C=O)CC=CC)C))C=O)C%10

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC(=O)CCCC=CCC1=O

Scaffold Graph/Node level:
CC1CC(O)CCCCCCC1O

Scaffold Graph level:
CC1CCCCCCC(C)C(C)C1

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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 Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.475

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Chemical structure download