(1R,2R,5S,10S,11R,14S,15R,16R)-5,10,11,14-tetrahydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-16-yl pyridine-3-carboxylate
AlkaPlorer ID: AK369661
Synonym: None
IUPAC Name: [3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C3=CC=CN=C3)C12C
InChI: InChI=1S/C27H37NO7/c1-16(29)25(32)10-11-27(34)24(25,3)21(35-22(31)17-5-4-12-28-15-17)14-20-23(2)8-7-19(30)13-18(23)6-9-26(20,27)33/h4-6,12,15-16,19-21,29-30,32-34H,7-11,13-14H2,1-3H3
InChIKey: DRPIMPNUZUSUTN-UHFFFAOYSA-N
Reference
A New Steroidal Alkaloid from the Roots of Cynanchum caudatum
PubChem CID: 162887731
LOTUS: LTS0150425
COCONUT: CNP0154353.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynanchum caudatum | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 487.5930000000003
TPSA？: 140.34000000000003
MolLogP？: 1.8823
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|