Summary

IMPPAT Phytochemical identifier: IMPHY002346

Phytochemical name: Exo-norbicycloekasantalal

Synonymous chemical names:
exo-norbicycloekasantalal

Chemical structure information

SMILES:
O=CC[C@@]1(C)[C@@H]2CC[C@H](C1=C)C2

InChI:
InChI=1S/C11H16O/c1-8-9-3-4-10(7-9)11(8,2)5-6-12/h6,9-10H,1,3-5,7H2,2H3/t9-,10+,11+/m0/s1

InChIKey:
DQFZAJLLIXCPGQ-HBNTYKKESA-N

DeepSMILES:
O=CC[C@@]C)[C@@H]CC[C@H]C6=C))C5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 3.153

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Chemical structure download