Vanilloylzygadenine
AlkaPlorer ID: AK015383
Synonym: '3-Vanilloylzygadenine'
IUPAC Name: [(1S,2R,6S,9S,10S,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] 4-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(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]8[C@@]7(C)O)[C@@H]6C[C@@]53O[C@]24O)=CC=C1O
InChI: InChI=1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19+,20-,23-,24+,25-,26-,27+,28+,29-,31-,32+,33+,34-,35-/m0/s1
InChIKey: NIEIJAOPLMFSMK-OQOMCRFNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum oblongum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 643.7740000000002
TPSA？: 169.38
MolLogP？: 1.7939999999999996
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|