Summary

IMPPAT Phytochemical identifier: IMPHY017598

Phytochemical name: Eremophila-1(10),6-dien-12-al

Synonymous chemical names:
eremophila-1(10),6-dien-12-al

External chemical identifiers:
CID:6428378

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Chemical structure information

SMILES:
O=CC(C1=CCC2[C@](C1)(C)C(=C)CCC2)C

InChI:
InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h7,10-11,14H,2,4-6,8-9H2,1,3H3/t11?,14?,15-/m0/s1

InChIKey:
NRWGBVWLFAHFHR-KWCHVYNWSA-N

DeepSMILES:
O=CCC=CCC[C@]C6)C)C=C)CCC6)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.492

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Chemical structure download