Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007292

Phytochemical name: 2-Hydroxyfuranodiene

Synonymous chemical names:
2- hydroxyfuranodiene

External chemical identifiers:
CID:CID_91748792

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Chemical structure information

SMILES:
C/C/1=C\Cc2c(occ2C)C/C(=C/C(C1)O)/C

InChI:
InChI=1S/C15H20O2/c1-10-4-5-14-12(3)9-17-15(14)8-11(2)7-13(16)6-10/h4,7,9,13,16H,5-6,8H2,1-3H3/b10-4+,11-7+

InChIKey:
KWALLIHRTCHEFS-ATTFBSEUSA-N

DeepSMILES:
C/C=C\Cccocc5C))))C/C=C/CC\%10)O)))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCc2ccoc2CC=CCC1

Scaffold Graph/Node level:
C1CCCCC2OCCC2CCC1

Scaffold Graph level:
C1CCCCC2CCCC2CCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.814

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Chemical structure download