Summary

IMPPAT Phytochemical identifier: IMPHY007777

Phytochemical name: Chloromycorrhizinol A

Synonymous chemical names:
chloromycorrhizinol a

External chemical identifiers:
CID:10471056

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Chemical structure information

SMILES:
OC1Cc2c(OC1(C)C)c1oc(c(c1c(c2O)Cl)Cl)C

InChI:
InChI=1S/C14H14Cl2O4/c1-5-9(15)8-10(16)11(18)6-4-7(17)14(2,3)20-12(6)13(8)19-5/h7,17-18H,4H2,1-3H3

InChIKey:
UNADTNZSDVWGIK-UHFFFAOYSA-N

DeepSMILES:
OCCccOC6C)C)))coccc5cc9O))Cl)))Cl))C

Functional groups:
CO, cCl, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2ccc3c(c2o1)OCCC3

Scaffold Graph/Node level:
C1COC2C(C1)CCC1CCOC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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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: Polyketides

NP Classifier Superclass: Chromanes

NP-Likeness score: 1.865

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Chemical structure download