Summary

IMPPAT Phytochemical identifier: IMPHY015647

Phytochemical name: (E)-nuciferal

Synonymous chemical names:
(e)-nuciferal

External chemical identifiers:
CID:6429176

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Chemical structure information

SMILES:
O=C/C(=C/CCCCc1ccc(cc1)C)/C

InChI:
InChI=1S/C15H20O/c1-13-8-10-15(11-9-13)7-5-3-4-6-14(2)12-16/h6,8-12H,3-5,7H2,1-2H3/b14-6+

InChIKey:
IZFSDKNXOMAAQL-MKMNVTDBSA-N

DeepSMILES:
O=C/C=C/CCCCcccccc6))C))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Toluenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 1.182

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Chemical structure download