Summary

IMPPAT Phytochemical identifier: IMPHY017596

Phytochemical name: (E)-Opposita-4(15),7(11)-dien-12-al

Synonymous chemical names:
(e)-opposita-4(15),7(11)-dien-12-al

External chemical identifiers:
CID:6428375

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Chemical structure information

SMILES:
O=C/C(=C/[C@@H]1CC[C@]2(C1C(=C)CCC2)C)/C

InChI:
InChI=1S/C15H22O/c1-11(10-16)9-13-6-8-15(3)7-4-5-12(2)14(13)15/h9-10,13-14H,2,4-8H2,1,3H3/b11-9+/t13-,14?,15-/m0/s1

InChIKey:
DNBAZHCMMBVLFT-KMZJMMDLSA-N

DeepSMILES:
O=C/C=C/[C@@H]CC[C@]C5C=C)CCC6)))))C))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCC12

Scaffold Graph level:
CC1CCCC2CCCC12

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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: Oppositane sesquiterpenoids

NP-Likeness score: 2.765

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Chemical structure download