Summary

IMPPAT Phytochemical identifier: IMPHY001626

Phytochemical name: Cryptostrobin

Synonymous chemical names:
cryptostrobin

External chemical identifiers:
CID:15953986, SureChEMBL:SCHEMBL663034

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1C)OC(CC2=O)c1ccccc1

InChI:
InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3

InChIKey:
QSRIZZQWNHKERT-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6C))OCCC6=O)))cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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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: Flavanones

NP-Likeness score: 1.652

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Chemical structure download