Veracevine
AlkaPlorer ID: AK003137
Synonym: None
IUPAC Name: (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol
Structure
SMILES: C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)O)O)C)O)O)O)(C)O
InChI: InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1
InChIKey: MZHXYVMEVBEFAL-XXFAKQOHSA-N
Reference
PubChem CID: 442986
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 509.64000000000027
TPSA？: 154.08
MolLogP？: -0.5258999999999983
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | LD50 | 100.0 | mg.kg-1 | 10.1016/j.bmc.2012.03.034 |
| None | Unchecked | Kd | 890000.0 | nM | 10.1016/j.bmc.2012.03.034 |