Summary

IMPPAT Phytochemical identifier: IMPHY007952

Phytochemical name: Dryopterin

Synonymous chemical names:
dryopterin

External chemical identifiers:
CID:14889248, ZINC:ZINC000015148236

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Chemical structure information

SMILES:
O=C1Oc2cc(O)cc3c2[C@H](C1)[C@@H](O)[C@H](O3)c1ccc(c(c1)O)O

InChI:
InChI=1S/C17H14O7/c18-8-4-12-15-9(6-14(21)23-12)16(22)17(24-13(15)5-8)7-1-2-10(19)11(20)3-7/h1-5,9,16-20,22H,6H2/t9-,16+,17+/m0/s1

InChIKey:
CWTCSQCPFXJPDL-SZQIBGDISA-N

DeepSMILES:
O=COcccO)ccc6[C@H]C%10)[C@@H]O)[C@H]O6)cccccc6)O))O

Functional groups:
CO, cO, cOC, cOC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(c3ccccc3)Oc3cccc(c32)O1

Scaffold Graph/Node level:
OC1CC2CC(C3CCCCC3)OC3CCCC(O1)C23

Scaffold Graph level:
CC1CC2CCCC3CC(C4CCCCC4)CC(C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavan-3-ols

NP-Likeness score: 2.017

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Chemical structure download