Summary

IMPPAT Phytochemical identifier: IMPHY009454

Phytochemical name: Curguligine B

Synonymous chemical names:
curculigine b

External chemical identifiers:
CID:197492

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Chemical structure information

SMILES:
COc1cc(OC2OC(COC3OCC(C3O)(O)CO)C(C(C2O)O)O)c(c(c1Cl)C)Cl

InChI:
InChI=1S/C19H26Cl2O11/c1-7-11(20)8(28-2)3-9(12(7)21)31-17-15(25)14(24)13(23)10(32-17)4-29-18-16(26)19(27,5-22)6-30-18/h3,10,13-18,22-27H,4-6H2,1-2H3

InChIKey:
UPPPHLGODNLFAD-UHFFFAOYSA-N

DeepSMILES:
COcccOCOCCOCOCCC5O))O)CO))))))))CCC6O))O))O))))))ccc6Cl))C))Cl

Functional groups:
CO, COC(C)OC, cCl, cOC, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCC(COC3CCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCC(COC3CCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC(CCC3CCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 2.088

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Chemical structure download