IMPPAT Phytochemical information:
Sibiricine
Summary
IMPPAT Phytochemical identifier: IMPHY010431
Phytochemical name: Sibiricine
Synonymous chemical names:(+)-sibiricine
External chemical identifiers:CID:179410
Chemical structure information
SMILES:
CN1CCc2c(C31C(=O)c1c([C@H]3O)c3OCOc3cc1)cc1c(c2)OCO1InChI:
InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20?/m1/s1InChIKey:
BQZZTMXCHPNTCL-FIWHBWSRSA-NDeepSMILES:
CNCCccC6C=O)cc[C@H]5O))cOCOc5cc9)))))))))))cccc6)OCO5Functional groups:
CN(C)C, CO, c1cOCO1, cC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1c2ccc3c(c2CC12NCCc1cc4c(cc12)OCO4)OCO3Scaffold Graph/Node level:
OC1C2CCC3OCOC3C2CC12NCCC1CC3OCOC3CC12Scaffold Graph level:
CC1C2CCC3CCCC3C2CC12CCCC1CC3CCCC3CC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Indanes
ClassyFire Subclass: Indanones
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
NP-Likeness score: 1.547
Chemical structure download