Navigation

name Structure Reference Source Properties Activities Metabolism

(1S)-1-[(1R,2R,5S,10S,11R,14S,15R,16R)-10,11,14-trihydroxy-5-{[(2R,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,15-dimethyl-16-{[(2E)-3-phenylprop-2-enoyl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptad

AlkaPlorer ID: AK378412

Synonym: None

IUPAC Name: 1-[8,14,17-trihydroxy-3-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-(3-phenylprop-2-enoyloxy)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl pyridine-3-carboxylate

Structure

SMILES: COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)C=CC4=CC=CC=C4)C4(C)C(O)(C(C)OC(=O)C6=CC=CN=C6)CCC54O)C3)CC2OC)OC(C)C1O

copy

InChI: InChI=1S/C50H67NO14/c1-29-43(53)36(58-6)25-42(60-29)65-44-30(2)61-41(26-37(44)59-7)63-35-18-19-46(4)34(24-35)17-20-49(56)38(46)27-39(64-40(52)16-15-32-12-9-8-10-13-32)47(5)48(55,21-22-50(47,49)57)31(3)62-45(54)33-14-11-23-51-28-33/h8-17,23,28-31,35-39,41-44,53,55-57H,18-22,24-27H2,1-7H3

copy

InChIKey: FLOMIRTZSBSGEW-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Cynanchum wilfordii Cynanchum Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 906.079

TPSA？: 201.79

MolLogP？: 5.216800000000006

Number of H-Donors: 4

Number of H-Acceptors: 15

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information