(2E)-3-({5-[(1E)-5-(6-{12-[5-(9-{6-[(4E)-10-[6-(4-{6-[(3E,5E,12E)-21-{6-[(1E)-5-(7-{2-[5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl}-2,6-dioxabicyclo[3.2.1]octan-3-yl)-3,4-dihydroxypent-1-en-1-yl]-3,4,5-trihydroxyoxan-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trien-1-yl]-3,4,5-trihydroxyoxan-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl]-3,4,5,6-tetrahydroxyoxan-2-yl}-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl}-3,4,5-trihydroxyoxan-2-yl)-3,4-dihydroxy-2-methylpent-1-en-1-yl]-3-methyloxolan-2-yl}formamido)-N-(3-hydroxypropyl)prop-2-enamide
AlkaPlorer ID: AK516450
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C(/C=C\CC(O)C(O)C(O)C/C=C/C=C\C(O)CC1OC(CC(O)C(O)CC2OC(C(O)C(O)CCC(O)/C=C/C(C)C(O)CC3(O)OC(CC(O)CCCCCCCC45CC(C)CC(C)(O4)C(CC(C)CCCCCC(O)C(O)C(O)C(O)C(O)C4OC(CC(O)C(O)/C(C)=C/C6CC(C)C(C(O)=N/C=C/C(O)=NCCCO)O6)C(O)C(O)C4O)O5)C(O)C(O)C3O)CC(O)C2O)C(O)C(O)C1O)CCC(O)C(O)C(O)C(C)CC1OC(/C=C\C(O)C(O)CC2CC3CC(O2)C(CCC2OC(CN)CC2O)O3)C(O)C(O)C1O
InChI: InChI=1S/C129H221N3O53/c1-62(29-33-81(142)107(156)103(152)67(6)47-93-110(159)116(165)109(158)91(179-93)36-35-76(137)82(143)51-73-50-74-53-92(176-73)90(175-74)38-37-89-85(146)52-75(61-130)177-89)23-20-28-78(139)104(153)77(138)26-18-13-16-25-70(135)48-94-111(160)117(166)112(161)97(180-94)55-84(145)83(144)54-95-106(155)87(148)57-96(181-95)105(154)80(141)34-32-69(134)31-30-65(4)88(149)60-129(174)125(172)122(171)114(163)99(183-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,185-128)100(184-128)44-63(2)22-14-12-17-27-79(140)108(157)115(164)119(168)121(170)124-120(169)118(167)113(162)98(182-124)56-86(147)102(151)66(5)45-72-46-68(7)123(178-72)126(173)132-42-39-101(150)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-149,151-172,174H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,150)(H,132,173)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+
InChIKey: RTVMXMYSQQSLGF-JDRAGAMFSA-N
Reference
Toxic Compounds of Palythoa tuberculosa (Coelenterata), Palytoxin and Its Analogs
LOTUS: LTS0182321
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palythoa tuberculosa | Palythoa | Sphenopidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2662.154999999993
TPSA？: 1001.9300000000006
MolLogP？: -5.91340000000005
Number of H-Donors: 43
Number of H-Acceptors: 54
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|