Summary

IMPPAT Phytochemical identifier: IMPHY012828

Phytochemical name: 1,5-Heptadiene-3,4-diol

Synonymous chemical names:
1,5-heptadien-3,4-diol

External chemical identifiers:
CID:5366240, SureChEMBL:SCHEMBL5868406

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Chemical structure information

SMILES:
C/C=C/C(C(C=C)O)O

InChI:
InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+

InChIKey:
ADXMFHMYYFZEGM-HWKANZROSA-N

DeepSMILES:
C/C=C/CCC=C))O))O

Functional groups:
C/C=C/C, C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.828

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Chemical structure download