Rostratamine
AlkaPlorer ID: AK119085
Synonym: ''
IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-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)[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/C27H35NO7/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/h4-6,12,15,19-21,30,32-34H,7-11,13-14H2,1-3H3/t19-,20+,21+,23-,24+,25+,26-,27+/m0/s1
InChIKey: GQDQWQRPCUUAFD-LLFZLOFHSA-N
Reference
Steroidal alkaloids of Marsdenia rostrata. III. Rostratine and dihydrorostratine
PubChem CID: 44575623
LOTUS: LTS0088572
SuperNatural Ⅲ: SN0112416-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Araujia sericifera | Araujia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 485.57700000000034
TPSA？: 137.18
MolLogP？: 2.090500000000001
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Raji | Activity | None | None | 10.1021/np50119a004 |