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Pyrrospirone D

AlkaPlorer ID: AK050386

Synonym: None

IUPAC Name: (3S,4R,5S,7R,9S,10R,13R,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione

Structure

SMILES: C=C[C@@H]1C=C(C)[C@H]2[C@@H]3[C@H](OC4=CC=C(C=C4)C[C@@]4(O)C[C@@H](C(=O)[C@@H]13)C(O)=N4)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C

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InChI: InChI=1S/C31H39NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,16-17,20,22-26,28,35H,1,11,13-15H2,2-5H3,(H,32,34)/t16-,17+,20-,22+,23+,24-,25+,26+,28+,30+,31-/m1/s1

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InChIKey: OCUONUXNKYDHKY-PZBKSWHFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Neonectria Nectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 489.6560000000003

TPSA？: 79.12

MolLogP？: 5.537000000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HL-60 IC50 6920.0 nM 10.1016/j.bmcl.2008.10.032
Homo sapiens K562 IC50 8640.0 nM 10.1016/j.bmcl.2008.10.032
Homo sapiens LNCaP IC50 11740.0 nM 10.1016/j.bmcl.2008.10.032

Metabolism Information