None

AlkaPlorer ID: AK424891

Synonym: None

IUPAC Name: 2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide

Structure

SMILES: CCC(C)C1N=C(O)CN=C(O)C2CC3=C(NC4=CC(O)=CC=C34)SCC(N=C(O)CN=C1O)C(O)=NC(CC(=N)O)C(=O)N1CC(O)CC1C(O)=NC(C(C)C(C)O)C(O)=N2

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InChI: InChI=1S/C39H54N10O12S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-62-38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)

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InChIKey: JPQAXLYDHQQGBO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Amanita bisporigera Amanita Amanitaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 886.986

TPSA: 369.00000000000006

MolLogP: 3.023970000000006

Number of H-Donors: 13

Number of H-Acceptors: 13

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information