Protoveratridine
AlkaPlorer ID: AK000835
Synonym: None
IUPAC Name: [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2R)-2-methylbutanoate
Structure
SMILES: CC[C@@H](C)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O[C@@]24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H]([C@]5([C@@H]4[C@@H](C3)O)O)O)O)(C)O)C)O)C
InChI: InChI=1S/C32H51NO9/c1-6-16(3)27(37)41-22-9-10-28(4)20-11-19(34)25-30(28,42-32(20,22)40)12-18-17-14-33-13-15(2)7-8-21(33)29(5,38)23(17)24(35)26(36)31(18,25)39/h15-26,34-36,38-40H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,28-,29+,30+,31-,32+/m0/s1
InChIKey: SGTJIQOCQLGWBX-FXWKDPFOSA-N
Reference
Zygadenus Alkaloids. IV. Active Principles of Zygadenus venenosus. Germine Esters<sup>1</sup>
PubChem CID: 101428717
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Toxicoscordion venenosum | Toxicoscordion | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 593.7580000000003
TPSA？: 160.15
MolLogP？: 0.7829000000000017
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|