Summary

IMPPAT Phytochemical identifier: IMPHY015202

Phytochemical name: 1s,4R,7R,11R-1,3,4,7-Tetramethyltricyclo[5.3.1.0(4,11)]undec-2-en-8-one

Synonymous chemical names:
1s, 4r, 7r, 11r-1, 3, 4, 7-tetramethyltricyclo[5.3.1.0(4, 11)] undec-2-en-8-one

External chemical identifiers:
CID:595401

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Chemical structure information

SMILES:
O=C1CCC2(C3C1(C)CCC3(C)C(=C2)C)C

InChI:
InChI=1S/C15H22O/c1-10-9-13(2)6-5-11(16)15(4)8-7-14(10,3)12(13)15/h9,12H,5-8H2,1-4H3

InChIKey:
DLQLSDBJZVQCLE-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6C)CCC5C)C=C8)C)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C=CC3CCC1C23

Scaffold Graph/Node level:
OC1CCC2CCC3CCC1C23

Scaffold Graph level:
CC1CCC2CCC3CCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Isocomane sesquiterpenoids

NP-Likeness score: 1.694

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Chemical structure download