Summary

IMPPAT Phytochemical identifier: IMPHY007208

Phytochemical name: Ovigerine

Synonymous chemical names:
ovigerine

External chemical identifiers:
CID:821351

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Chemical structure information

SMILES:
C1Oc2c(O1)c1-c3c(C[C@H]4c1c(c2)CCN4)ccc1c3OCO1

InChI:
InChI=1S/C18H15NO4/c1-2-12-17(22-7-20-12)15-9(1)5-11-14-10(3-4-19-11)6-13-18(16(14)15)23-8-21-13/h1-2,6,11,19H,3-5,7-8H2/t11-/m0/s1

InChIKey:
UXVJNYDGHSTBCL-NSHDSACASA-N

DeepSMILES:
COccO5)c-ccC[C@H]c6cc%10)CCN6)))))))cccc6OCO5

Functional groups:
CNC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(c3c1CC1NCCc4cc5c(c-3c41)OCO5)OCO2

Scaffold Graph/Node level:
C1CC2CC3OCOC3C3C2C(CC2CCC4OCOC4C23)N1

Scaffold Graph level:
C1CC2CC3CCCC3C3C2C(C1)CC1CCC2CCCC2C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.647

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Chemical structure download