Summary

IMPPAT Phytochemical identifier: IMPHY016847

Phytochemical name: Selina-3,11-dien-14-al

Synonymous chemical names:
selina-3,11-dien-14-al

External chemical identifiers:
CID:6431304

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Chemical structure information

SMILES:
O=CC1=CCC[C@]2(C1C[C@@H](CC2)C(=C)C)C

InChI:
InChI=1S/C15H22O/c1-11(2)12-6-8-15(3)7-4-5-13(10-16)14(15)9-12/h5,10,12,14H,1,4,6-9H2,2-3H3/t12-,14?,15-/m1/s1

InChIKey:
HAGXJRWOGHAEIY-SULGFLJSSA-N

DeepSMILES:
O=CC=CCC[C@]C6C[C@@H]CC6))C=C)C)))))C

Functional groups:
C=C(C)C, CC=C(C)C=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: 3.148

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Chemical structure download