Summary

IMPPAT Phytochemical identifier: IMPHY008139

Phytochemical name: Ammiol

Synonymous chemical names:
ammiol

External chemical identifiers:
CID:621572, FDASRS:6R2E7CX8FG, SureChEMBL:SCHEMBL10885786

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Chemical structure information

SMILES:
COc1c2oc(CO)cc(=O)c2c(c2c1occ2)OC

InChI:
InChI=1S/C14H12O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-10(11)9(16)5-7(6-15)20-13/h3-5,15H,6H2,1-2H3

InChIKey:
XSKZZVYURGCOGM-UHFFFAOYSA-N

DeepSMILES:
COccocCO))cc=O)c6ccc%10occ5)))))OC

Functional groups:
CO, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2cc3occc3cc12

Scaffold Graph/Node level:
OC1CCOC2CC3OCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 1.672

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Chemical structure download