Summary

IMPPAT Phytochemical identifier: IMPHY013571

Phytochemical name: Dehydroaromadendrene

Synonymous chemical names:
dehydro aromadendrene, dehydro-aromadendrene, dehydroaromadendrene

External chemical identifiers:
CID:91746711

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Chemical structure information

SMILES:
CC1CCC2C1[C@@H]1[C@@H](C1(C)C)CC=C2C

InChI:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10?,11?,12-,13?,14-/m0/s1

InChIKey:
DJAYTQZJAJXFDU-GPCCPQHFSA-N

DeepSMILES:
CCCCCC5[C@@H][C@@H]C3C)C))CC=C7C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC2C2CC2C1

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.098

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Chemical structure download