Summary

IMPPAT Phytochemical identifier: IMPHY001867

Phytochemical name: Norcowanin

Synonymous chemical names:
norcowanin

External chemical identifiers:
CID:11518330, ChEMBL:CHEMBL463409, ZINC:ZINC000013393282, SureChEMBL:SCHEMBL12241932

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Chemical structure information

SMILES:
C/C(=CCc1c(O)c(O)cc2c1c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O)/CCC=C(C)C

InChI:
InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-24-22(14-21(30)26(19)31)34-23-13-20(29)18(11-9-16(3)4)27(32)25(23)28(24)33/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+

InChIKey:
YACCKSNWKYYRID-LICLKQGHSA-N

DeepSMILES:
C/C=CCccO)cO)ccc6c=O)cco6)cccc6O))CC=CC)C)))))O))))))))))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, CC=C(C)C, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.074

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Chemical structure download