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gliocladine A

AlkaPlorer ID: AK086194

Synonym: None

IUPAC Name: (1S,2S,3S,11R,14R)-2-hydroxy-3-[(1S,2S,3S,11R,14R)-2-hydroxy-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14,19-dimethyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione

Structure

SMILES: CN1C(=O)[C@]23SSS[C@]1(C)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@@]4(C)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O

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InChI: InChI=1S/C30H28N6O6S5/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-47-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25+,26+,27+,28+,29-,30-/m0/s1

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InChIKey: PKQOQKDOLQVXEO-YHACDABGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 728.9250000000002

TPSA？: 145.76

MolLogP？: 1.979

Number of H-Donors: 4

Number of H-Acceptors: 13

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bursaphelenchus xylophilus Bursaphelenchus xylophilus ED50 400.0 ug ml-1 10.1021/np0502241
Caenorhabditis elegans Caenorhabditis elegans ED50 25.0 ug ml-1 10.1021/np0502241
Panagrellus redivivus Panagrellus redivivus ED50 50.0 ug ml-1 10.1021/np0502241

Metabolism Information