Viequeamide B
AlkaPlorer ID: AK005946
Synonym: 'Viequeamide B'
IUPAC Name: (3S,6S,9S,13S,16S,19S,22S)-3-benzyl-7,12,12,19,20-pentamethyl-13-pent-4-ynyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Structure
SMILES: C#CCCC[C@@H]1OC(=O)[C@H](C(C)C)N=C(O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)C1(C)C
InChI: InChI=1S/C44H65N5O9/c1-13-14-16-23-33-44(9,10)43(56)46-34(26(2)3)40(53)48(12)36(28(6)7)42(55)57-32(25-30-20-17-15-18-21-30)39(52)49-24-19-22-31(49)38(51)47(11)29(8)37(50)45-35(27(4)5)41(54)58-33/h1,15,17-18,20-21,26-29,31-36H,14,16,19,22-25H2,2-12H3,(H,45,50)(H,46,56)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey: OUTOCBREWFCORV-ZBZKAUHLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Rivularia | Viviparidae | Architaenioglossa | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 808.03
TPSA？: 178.71
MolLogP？: 5.179100000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NCI-H460 | Activity | None | None | 10.1021/np300321b |