Molecule

Microviridin LH1667

AlkaPlorer ID: AK010260

Synonym: None

IUPAC Name: (2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,44R)-30-[[(2S)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]propylidene]amino]-2,11,21,24,31,34,41,47-octahydroxy-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-5,16,27,45-tetraoxo-15,28-dioxa-3,6,12,20,23,32,35,40,46-nonazatetracyclo[17.16.10.213,25.06,10]heptatetraconta-2,11,20,23,31,34,40,46-octaen-44-yl]amino]-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CO)C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@H]2CCCCN=C(O)CC[C@@H](N[C@@H](CC3=CC=C(O)C=C3)C(=O)O)C(=O)[C@@H]3CCC(=O)OC[C@H](N=C(O)[C@@H]4CCCN4C(=O)[C@H](CC4=CC=C(O)C=C4)N=C2O)C(O)=N[C@@H](CC(=O)O[C@@H]1C)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N3

InChI: InChI=1S/C80H100N14O23/c1-41(2)32-56-71(105)86-55-12-7-8-30-81-65(100)28-26-53(84-61(80(114)115)35-46-18-24-50(99)25-19-46)69(103)54-27-29-66(101)116-40-63(92-77(111)64-13-9-31-94(64)79(113)60(90-70(55)104)34-45-16-22-49(98)23-17-45)76(110)88-59(74(108)87-58(73(107)85-54)36-47-38-82-52-11-6-5-10-51(47)52)37-67(102)117-42(3)68(78(112)89-56)93-75(109)62(39-95)91-72(106)57(83-43(4)96)33-44-14-20-48(97)21-15-44/h5-6,10-11,14-25,38,41-42,53-64,68,82,84,95,97-99H,7-9,12-13,26-37,39-40H2,1-4H3,(H,81,100)(H,83,96)(H,85,107)(H,86,105)(H,87,108)(H,88,110)(H,89,112)(H,90,104)(H,91,106)(H,92,111)(H,93,109)(H,114,115)/t42-,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,68+/m1/s1

InChIKey: NFNSLVJFCIPOAU-SOBUNMMOSA-N

Reference

Three aeruginosins and a microviridin from a bloom assembly of Microcystis spp. collected from a fishpond near Kibbutz Lehavot HaBashan, Israel

PubChem CID: 146683627

LOTUS: LTS0019104

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NPAtlas: NPA027239

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Microcystis sp.	Microcystis	Microcystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 1625.7550000000003

TPSA？: 594.5100000000001

MolLogP？: 7.429100000000018

Number of H-Donors: 18

Number of H-Acceptors: 23

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi