Summary

IMPPAT Phytochemical identifier: IMPHY017822

Phytochemical name: Elema-1,11-dien-15-al

Synonymous chemical names:
elema-1,11-dien-15-al

External chemical identifiers:
CID:91747151

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Chemical structure information

SMILES:
O=CC([C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(=C)C)C

InChI:
InChI=1S/C15H24O/c1-6-15(5)8-7-13(11(2)3)9-14(15)12(4)10-16/h6,10,12-14H,1-2,7-9H2,3-5H3/t12?,13-,14+,15-/m1/s1

InChIKey:
DFDSCTULEHLJOC-JALIKCBVSA-N

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

Functional groups:
C=C(C)C, C=CC, CC=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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.54

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Chemical structure download