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name Structure Reference Source Properties Activities Metabolism

(1R,4S,7S,9S)-4-(hydroxymethyl)-9-(3-{[(2S,5S)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl}indol-1-yl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-di

AlkaPlorer ID: AK017086

Synonym: None

IUPAC Name: (1R,4S,7S,9S)-4-(hydroxymethyl)-9-[3-[[(2S,5S)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl]indol-1-yl]-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Structure

SMILES: CS[C@@]1(CO)C(=O)N(C)[C@@](CC2=CN([C@]34C[C@]5(SC)C(=O)N(C)[C@@](CO)(SC)C(=O)N5[C@H]3NC3=CC=CC=C34)C3=CC=CC=C23)(SC)C(=O)N1C

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InChI: InChI=1S/C35H42N6O6S4/c1-37-29(46)34(19-42,50-6)38(2)27(44)32(37,48-4)16-21-17-40(25-15-11-8-12-22(21)25)31-18-33(49-5)28(45)39(3)35(20-43,51-7)30(47)41(33)26(31)36-24-14-10-9-13-23(24)31/h8-15,17,26,36,42-43H,16,18-20H2,1-7H3/t26-,31+,32+,33+,34+,35+/m1/s1

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InChIKey: YDUJBQZOCBSEQA-JLYHLUBJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Chaetomium cochliodes Chaetomium Chaetomiaceae Sordariales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 771.025

TPSA？: 138.66000000000005

MolLogP？: 2.5355000000000008

Number of H-Donors: 3

Number of H-Acceptors: 12

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None NON-PROTEIN TARGET GI50 0.05 ug.mL-1 10.1021/np0602970
None NON-PROTEIN TARGET GI50 0.06 ug.mL-1 10.1021/np0602970
None NON-PROTEIN TARGET GI50 0.2 ug.mL-1 10.1021/np0602970

Metabolism Information