Summary

IMPPAT Phytochemical identifier: IMPHY016967

Phytochemical name: 3-(4,8-Dimethyl-2,4,6-nonatrienyl)furan

Synonymous chemical names:
c15h20o

External chemical identifiers:
CID:10910959, ZINC:ZINC000015120244

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Chemical structure information

SMILES:
C/C(=CC=CC(C)C)/C=C/Cc1cocc1

InChI:
InChI=1S/C15H20O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h4-8,10-13H,9H2,1-3H3/b6-4+,8-5+,14-7+

InChIKey:
ROCIWIQPHIBTOC-JHSNUBCISA-N

DeepSMILES:
C/C=CC=CCC)C)))))/C=C/Cccocc5

Functional groups:
C/C=C/C=C(C)/C=C/C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.275

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Chemical structure download