Summary

IMPPAT Phytochemical identifier: IMPHY005333

Phytochemical name: Cylindrene

Synonymous chemical names:
cylindrene

External chemical identifiers:
CID:190914, ChEMBL:CHEMBL470669

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Chemical structure information

SMILES:
CC(=O)c1cc(C(C)C)c2c(c1)C(C)(O)CC2

InChI:
InChI=1S/C15H20O2/c1-9(2)13-7-11(10(3)16)8-14-12(13)5-6-15(14,4)17/h7-9,17H,5-6H2,1-4H3

InChIKey:
QMVDVUGKEIJAKJ-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccCC)C))ccc6)CC)O)CC5

Functional groups:
CO, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC2

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.517

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Chemical structure download