Summary

IMPPAT Phytochemical identifier: IMPHY016610

Phytochemical name: (+)-Dehydrogeosmin

Synonymous chemical names:
dehydrogeosmin

External chemical identifiers:
CID:11084487, ZINC:ZINC000038220629

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Chemical structure information

SMILES:
C[C@H]1CCC[C@@]2([C@]1(O)CC=CC2)C

InChI:
InChI=1S/C12H20O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h3-4,10,13H,5-9H2,1-2H3/t10-,11+,12-/m0/s1

InChIKey:
COFTVDLZYIBNEL-TUAOUCFPSA-N

DeepSMILES:
C[C@H]CCC[C@@][C@]6O)CC=CC6)))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.567

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Chemical structure download