Summary

IMPPAT Phytochemical identifier: IMPHY013507

Phytochemical name: Viscumitol

Synonymous chemical names:
viscumitol

External chemical identifiers:
CID:57459394, ZINC:ZINC000199602329

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Chemical structure information

SMILES:
CO[C@@H]1[C@H](OC)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C8H16O6/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h3-12H,1-2H3/t3-,4+,5+,6-,7-,8+

InChIKey:
HREVPIABJKTEDU-CNVXYERZSA-N

DeepSMILES:
CO[C@@H][C@H]OC))[C@@H]O)[C@@H][C@@H][C@H]6O))O))O

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Carbohydrates

NP Classifier Superclass: Polyols

NP Classifier Class: Cyclitols

NP-Likeness score: 1.416

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Chemical structure download