Summary

IMPPAT Phytochemical identifier: IMPHY015712

Phytochemical name: Helifolen-15-al

Synonymous chemical names:
helifolen-15-al

External chemical identifiers:
CID:91747477

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Chemical structure information

SMILES:
O=CC1CCC2C31CCC(C=C3)(C2(C)C)C

InChI:
InChI=1S/C15H22O/c1-13(2)12-5-4-11(10-16)15(12)8-6-14(13,3)7-9-15/h6,8,10-12H,4-5,7,9H2,1-3H3

InChIKey:
IHDVAQYHWXGXMH-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC5CCCC=C6))C6C)C))C

Functional groups:
CC=CC, CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC2CC1CC3

Scaffold Graph/Node level:
C1CC2CC3CCC2(C1)CC3

Scaffold Graph level:
C1CC2CC3CCC2(C1)CC3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.563

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Chemical structure download