Summary

IMPPAT Phytochemical identifier: IMPHY004103

Phytochemical name: (S)-Stylopine

Synonymous chemical names:
(-) stylopine, (-)-stylopine, l-tetrahydrocoptisine, stylopine, tetrahydrocoptisine

External chemical identifiers:
CID:440583, ChEMBL:CHEMBL1922602, ChEBI:18285, ZINC:ZINC000020470300, SureChEMBL:SCHEMBL18891073, MolPort-016-638-302

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Chemical structure information

SMILES:
C1Oc2c(O1)cc1c(c2)CCN2[C@H]1Cc1ccc3c(c1C2)OCO3

InChI:
InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1

InChIKey:
UXYJCYXWJGAKQY-HNNXBMFYSA-N

DeepSMILES:
COccO5)cccc6)CCN[C@H]6Ccccccc6C%10))OCO5

Functional groups:
CN(C)C, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2

Scaffold Graph/Node level:
C1OC2CC3CCN4CC5C(CCC6OCOC65)CC4C3CC2O1

Scaffold Graph level:
C1CC2CC3CCC4CC5C(CCC6CCCC65)CC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 1.07

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Chemical structure download