(1S)-1-[(1S,2R,5S,10S,11R,14S,15R,16R)-5,10,11,14-tetrahydroxy-2,15-dimethyl-16-{[(2E)-3-phenylprop-2-enoyl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethyl pyridine-3-carboxylate
AlkaPlorer ID: AK357956
Synonym: None
IUPAC Name: [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-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: C[C@H](OC(=O)C1=CC=CN=C1)[C@@]1(O)CC[C@]2(O)C3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@]12C
InChI: InChI=1S/C36H43NO8/c1-23(44-31(40)25-10-7-19-37-22-25)34(41)17-18-36(43)33(34,3)29(45-30(39)12-11-24-8-5-4-6-9-24)21-28-32(2)15-14-27(38)20-26(32)13-16-35(28,36)42/h4-13,19,22-23,27-29,38,41-43H,14-18,20-21H2,1-3H3/b12-11+/t23-,27-,28+,29+,32-,33+,34-,35?,36+/m0/s1
InChIKey: CQLUYSHACKIUHL-LQAUVMAVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynanchum wilfordii | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 617.7390000000003
TPSA？: 146.41
MolLogP？: 4.146600000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|