Summary

IMPPAT Phytochemical identifier: IMPHY017594

Phytochemical name: cis-Eudesm-6-en-12-al

Synonymous chemical names:
cis-eudesm-6-en-12-al

External chemical identifiers:
CID:6428367

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Chemical structure information

SMILES:
O=CC(C1=CC2[C@@](CC1)(C)CCC[C@H]2C)C

InChI:
InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h9-12,14H,4-8H2,1-3H3/t11-,12?,14?,15+/m1/s1

InChIKey:
QSZPERKSHGCGQS-DGLGBPBLSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.434

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Chemical structure download