Summary

IMPPAT Phytochemical identifier: IMPHY009508

Phytochemical name: (-)-Glycinol

Synonymous chemical names:
(-)-glycinol

External chemical identifiers:
CID:129648, ChEBI:15649, FDASRS:Q0O9HGR94O, SureChEMBL:SCHEMBL4549087, MolPort-046-790-451

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Chemical structure information

SMILES:
Oc1ccc2c(c1)OC[C@@]1([C@H]2Oc2c1ccc(c2)O)O

InChI:
InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1

InChIKey:
QMXOFBXZEKTJIK-LSDHHAIUSA-N

DeepSMILES:
Occcccc6)OC[C@@][C@H]6Occ5cccc6)O))))))))O

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.237

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Chemical structure download