Navigation

name Structure Reference Source Properties Activities Metabolism

[L-Val8]laxaphycin A

AlkaPlorer ID: AK006374

Synonym: None

IUPAC Name: (3E,6S,10R,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-22-[(2S)-butan-2-yl]-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-19-propan-2-yl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone

Structure

SMILES: C/C=C1/N=C(O)[C@H](CCO)N=C(O)C[C@@H](CCCCC)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](C(C)C)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H](CCO)N=C(O)[C@@H]2C[C@@H](O)CN2C1=O

copy

InChI: InChI=1S/C59H95N11O14/c1-11-14-16-21-38-29-47(74)62-41(22-24-71)52(77)63-40(13-3)59(84)70-32-39(73)30-46(70)56(81)64-42(23-25-72)53(78)66-45(28-37-19-17-15-18-20-37)54(79)65-44(27-34(6)7)55(80)69-50(36(10)12-2)58(83)68-49(35(8)9)57(82)67-43(26-33(4)5)51(76)60-31-48(75)61-38/h13,15,17-20,33-36,38-39,41-46,49-50,71-73H,11-12,14,16,21-32H2,1-10H3,(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,81)(H,65,79)(H,66,78)(H,67,82)(H,68,83)(H,69,80)/b40-13+/t36-,38+,39+,41-,42-,43-,44+,45+,46-,49+,50-/m0/s1

copy

InChIKey: SVJZMRXSYHBCBV-VJDBXJDMSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Anabaena torulosa Anabaena Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 1182.472

TPSA？: 406.9

MolLogP？: 8.15160000000001

Number of H-Donors: 13

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens SH-SY5Y Activity 70.7 % 10.1016/j.bmc.2019.03.046
Homo sapiens SH-SY5Y Activity nan None 10.1016/j.bmc.2019.03.046
Homo sapiens SH-SY5Y IC50 3700.0 nM 10.1016/j.bmc.2019.03.046
Homo sapiens SH-SY5Y IC50 5600.0 nM 10.1016/j.bmc.2019.03.046
Homo sapiens SH-SY5Y IC50 12400.0 nM 10.1016/j.bmc.2019.03.046
Homo sapiens SH-SY5Y Ratio 6.4 None 10.1016/j.bmc.2019.03.046

Metabolism Information