Angeloylzygadenine
AlkaPlorer ID: AK032146
Synonym: ''
IUPAC Name: [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23R,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)[C@@H](O)[C@H](O)[C@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@]42O[C@@]13O
InChI: InChI=1S/C32H49NO8/c1-6-17(3)27(36)40-23-11-12-28(4)20-8-9-21-30(28,41-32(20,23)39)13-19-18-15-33-14-16(2)7-10-22(33)29(5,37)24(18)25(34)26(35)31(19,21)38/h6,16,18-26,34-35,37-39H,7-15H2,1-5H3/b17-6-/t16-,18-,19-,20-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-,32+/m0/s1
InChIKey: VZBCOPRNVQLISP-NYQHCPADSA-N
Reference
Two steroidal alkaloids from veratrum viride
PubChem CID: 134145571
LOTUS: LTS0147244
SuperNatural Ⅲ: SN0403951-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum viride | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.7430000000002
TPSA？: 139.92000000000002
MolLogP？: 1.7322
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Molecular identity unknown | IC50 | 25000.0 | nM | 10.1016/j.bmcl.2016.08.040 |