Molecule

Celasmondine N

AlkaPlorer ID: AK016141

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(C1=CC=CN=C1C(C)C(C)C2=O)OC[C@@]3(C)[C@]4([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]5(COC(C)=O)[C@]([C@@](C)(O)[C@@H](O2)[C@H](OC(C)=O)[C@@H]5OC(C6=CN=CC=C6)=O)(O3)[C@@H]4OC(C)=O

InChI: InChI=1S/C42H48N2O18/c1-19-20(2)36(50)60-33-31(57-23(5)47)35(61-37(51)26-12-10-14-43-16-26)41(18-54-21(3)45)34(59-25(7)49)30(56-22(4)46)28-32(58-24(6)48)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19?,20?,28-,30+,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1

InChIKey: ICJMGMIQWBNSNM-LXMBSEAXSA-N

Reference

Macrolide sesquiterpene pyridine alkaloids from Celastrus monospermus and evaluation of their immunosuppressive and anti-osteoclastogenesis activities

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 868.8420000000003

TPSA？: 265.63999999999993

MolLogP？: 1.7224000000000033

Number of H-Donors: 1

Number of H-Acceptors: 20

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi