Summary

IMPPAT Phytochemical identifier: IMPHY007305

Phytochemical name: Taxicatin

Synonymous chemical names:
taxicatin

External chemical identifiers:
CID:90479391, ZINC:ZINC000038213972, FDASRS:B34E0338PZ

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(OC)cc(c2)OC)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H20O8/c1-19-7-3-8(20-2)5-9(4-7)21-14-13(18)12(17)11(16)10(6-15)22-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1

InChIKey:
JDTIMXKVYWJWHE-RKQHYHRCSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccOC))ccc6)OC))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 1.711

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Chemical structure download