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Zygosporin D

AlkaPlorer ID: AK115850

Synonym: None

IUPAC Name: (1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,18-dione

Structure

SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O

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InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16-17,20-24,30-31,34H,3,9,15H2,1-2,4H3,(H,29,33)/b12-8+,14-13+/t16-,17+,20-,21-,22+,23-,24+,27+,28+/m0/s1

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InChIKey: DMUBZPWTFAPROZ-CEAYGSLDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Metarhizium anisopliae Metarhizium Clavicipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 465.5900000000002

TPSA？: 110.35

MolLogP？: 3.1866000000000025

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 16720.0 nM 10.1016/j.bmcl.2015.03.059
Homo sapiens MRC5 IC50 200000.0 nM 10.1016/j.bmcl.2015.03.059
Oryza sativa Oryza sativa Activity 41.0 % 10.1021/np990331t
None NON-PROTEIN TARGET IC50 4040.0 nM 10.1016/j.bmcl.2015.03.059
None NON-PROTEIN TARGET IC50 30180.0 nM 10.1016/j.bmcl.2015.03.059

Metabolism Information