Veratroylzygadenine
AlkaPlorer ID: AK016462
Synonym: ''
IUPAC Name: [(1S,2S,6S,9S,11R,12R,13S,14S,15S,18S,19S,22S,23S,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] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(O)[C@@H](O)[C@H](O)[C@H]7[C@@H](CN8C[C@@H](C)CC[C@H]8C7(C)O)[C@@H]6C[C@@]53O[C@]24O)C=C1OC
InChI: InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33?,34+,35-,36-/m0/s1
InChIKey: LQZYJVWXEFXUJG-GJNBTCBISA-N
Reference
Alkaloids ofZygadenus sibiricus. The structure of verazinine
PubChem CID: 102093838
LOTUS: LTS0193655
NPASS: NPC269235
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum oxysepalum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Veratrum nigrum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 657.8010000000002
TPSA？: 158.38
MolLogP？: 2.097
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|