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gliocladine B

AlkaPlorer ID: AK033815

Synonym: None

IUPAC Name: (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]-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione

Structure

SMILES: CN1C(=O)C23SSSS[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/C30H28N6O6S6/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)46-48-47-44-26/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: IRLKNNGUSBXLNJ-ZCKSNNHKSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 760.9920000000001

TPSA？: 145.76

MolLogP？: 2.6272

Number of H-Donors: 4

Number of H-Acceptors: 14

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 30.0 ug ml-1 10.1021/np0502241
Panagrellus redivivus Panagrellus redivivus ED50 25.0 ug ml-1 10.1021/np0502241

Metabolism Information