Summary

IMPPAT Phytochemical identifier: IMPHY015711

Phytochemical name: Helifolen-12-al

Synonymous chemical names:
helifolen-12-al, helifolen-12-al (anti-anti-anti), helifolen-12-al (anti-syn-syn), helifolen-12-al (syn-anti-anti), helifolen-12-al (syn-syn-syn), helifolen-12-al a

External chemical identifiers:
CID:91747205

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Chemical structure information

SMILES:
O=CC1(C)C2CCC(C32CCC1(C)C=C3)C

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

InChIKey:
IVGPPCYQIKEJMO-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CCCCC5CCC9C)C=C6))))))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: 2.762

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Chemical structure download