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Oppositine A

AlkaPlorer ID: AK113308

Synonym: None

IUPAC Name: [(1S,3S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-13-ethyl-26-hydroxy-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-20-yl] benzoate

Structure

SMILES: CCC1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@]3(O[C@]4(C)COC(=O)C3=C1N=CC=C3)[C@@]2(C)O

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InChI: InChI=1S/C44H51NO18/c1-9-27-17-18-30(51)61-36-34(58-24(4)48)38(62-39(52)28-14-11-10-12-15-28)43(21-55-22(2)46)37(60-26(6)50)33(57-23(3)47)31-35(59-25(5)49)44(43,42(36,8)54)63-41(31,7)20-56-40(53)29-16-13-19-45-32(27)29/h10-16,19,27,31,33-38,54H,9,17-18,20-21H2,1-8H3/t27?,31-,33-,34+,35-,36+,37-,38+,41-,42+,43-,44+/m1/s1

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InChIKey: JXYRJECRZDRDLF-GDJKKNSPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pleurostylia opposita Pleurostylia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 881.881

TPSA？: 252.75

MolLogP？: 2.861600000000004

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Hypoxia-inducible factor 1 alpha Activity nan None 10.1021/np060459s
Human immunodeficiency virus Human immunodeficiency virus Activity nan None 10.1021/np060459s
None NON-PROTEIN TARGET EC50 27000.0 nM 10.1021/np060459s

Metabolism Information