Summary

IMPPAT Phytochemical identifier: IMPHY008497

Phytochemical name: Furoguaiacidin

Synonymous chemical names:
furoguaiacidin

External chemical identifiers:
CID:100980535

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Chemical structure information

SMILES:
COCc1c(oc(c1C)c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C21H22O6/c1-12-15(11-24-2)21(14-6-8-17(23)19(10-14)26-4)27-20(12)13-5-7-16(22)18(9-13)25-3/h5-10,22-23H,11H2,1-4H3

InChIKey:
IIYMFZOPGGFBGL-UHFFFAOYSA-N

DeepSMILES:
COCccocc5C))cccccc6)OC)))O)))))))cccccc6)OC)))O

Functional groups:
COC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccc(-c3ccccc3)o2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC(C3CCCCC3)O2)CC1

Scaffold Graph level:
C1CCC(C2CCC(C3CCCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furans

ClassyFire Subclass: Diphenylfurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.442

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Chemical structure download