Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018269

Phytochemical name: 11,11-Dimethyl-spiro[2,9]dodeca-3,7-dien

Synonymous chemical names:
11,11-Dimethyl-spiro[2,9]dodeca-3,7-dien

External chemical identifiers:
CID:CID_5367333

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Chemical structure information

SMILES:
CC1(C)CC21CC/C=C\CC/C=C/C2

InChI:
InChI=1S/C14H22/c1-13(2)12-14(13)10-8-6-4-3-5-7-9-11-14/h4,6-7,9H,3,5,8,10-12H2,1-2H3/b6-4-,9-7+

InChIKey:
UYLSRFKRRXFOOH-UNQQQNFISA-N

DeepSMILES:
CCC)CC3CC/C=C\CC/C=C/C%10

Functional groups:
C/C=C\C, C/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2(CC=CCC1)CC2

Scaffold Graph/Node level:
C1CCCCC2(CCCC1)CC2

Scaffold Graph level:
C1CCCCC2(CCCC1)CC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Humulane sesquiterpenoids

NP-Likeness score: 1.452

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Chemical structure download