(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: AK247550
Synonym: None
IUPAC Name: [(3S,8S,9R,10R,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-[(1S)-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: C[C@H](O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)C1=CC=CN=C1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
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/t16-,19-,20+,21+,23-,24+,25+,26-,27+/m0/s1
InChIKey: DRPIMPNUZUSUTN-IGFLRYHPSA-N
Reference
A New Steroidal Alkaloid from the Roots of Cynanchum caudatum
PubChem CID: 162887732
LOTUS: LTS0166278
SuperNatural Ⅲ: SN0073581-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynanchum caudatum | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 487.5930000000004
TPSA？: 140.34
MolLogP？: 1.8823000000000003
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|