Summary

IMPPAT Phytochemical identifier: IMPHY010790

Phytochemical name: Srilankine

Synonymous chemical names:
srilankine

Chemical structure information

SMILES:
COc1cc2-c3c(OC)c(O)cc4c3[C@H](Cc2cc1OC)N(C)C[C@@H]4O

InChI:
InChI=1S/C20H23NO5/c1-21-9-15(23)12-7-14(22)20(26-4)19-11-8-17(25-3)16(24-2)6-10(11)5-13(21)18(12)19/h6-8,13,15,22-23H,5,9H2,1-4H3/t13-,15-/m0/s1

InChIKey:
JOCWWTNEHQHRAA-ZFWWWQNUSA-N

DeepSMILES:
COccc-ccOC))cO)ccc6[C@H]Cc%10cc%14OC))))))NC)C[C@@H]6O

Functional groups:
CN(C)C, CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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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: 1.745

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Chemical structure download