Summary

IMPPAT Phytochemical identifier: IMPHY007321

Phytochemical name: Cannabifuran

Synonymous chemical names:
cannabifuran

External chemical identifiers:
CID:9966466, ZINC:ZINC000013383006, SureChEMBL:SCHEMBL13214160

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Chemical structure information

SMILES:
CCCCCc1cc(O)c2c(c1)oc1c2c(ccc1C)C(C)C

InChI:
InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3

InChIKey:
VNGQMWZHHNCMLQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccO)ccc6)occ5cccc6C))))CC)C

Functional groups:
cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)oc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Dibenzofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Usnic acid and derivatives

NP-Likeness score: 0.603

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Chemical structure download