Summary

IMPPAT Phytochemical identifier: IMPHY005311

Phytochemical name: Stypandrol

Synonymous chemical names:
hemerocallin, stypandrol

External chemical identifiers:
CID:188516, ChEBI:9294, ZINC:ZINC000000899656, SureChEMBL:SCHEMBL4742401

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Chemical structure information

SMILES:
CC(=O)c1c(C)cc2c(c1O)c(O)c(cc2)c1ccc2c(c1O)c(O)c(c(c2)C)C(=O)C

InChI:
InChI=1S/C26H22O6/c1-11-9-15-5-7-17(23(29)21(15)25(31)19(11)13(3)27)18-8-6-16-10-12(2)20(14(4)28)26(32)22(16)24(18)30/h5-10,29-32H,1-4H3

InChIKey:
GCLHKQZTLUKUTE-UHFFFAOYSA-N

DeepSMILES:
CC=O)ccC)cccc6O))cO)ccc6))cccccc6O))cO)ccc6)C))C=O)C

Functional groups:
cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1

Scaffold Graph/Node level:
C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1

Scaffold Graph level:
C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Bisnaphthalenes

NP-Likeness score: 0.694

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Chemical structure download