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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: AK140106

Synonym: None

IUPAC Name: [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-8,14,17-trihydroxy-3-[(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-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate

Structure

SMILES: CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@]3(C)[C@]4(O)CC[C@@]3(O)[C@H](C)OC(=O)C3=CC=CN=C3)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1

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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/b16-15+/t29-,30-,31+,35+,36-,37+,38-,39-,41+,42+,43-,44-,46+,47-,48-,49+,50-/m1/s1

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InChIKey: FLOMIRTZSBSGEW-NBXFTRSQSA-N

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Source

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

Properties Information

Molecule Weight: 906.0790000000002

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