Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L8U7HM
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Ligand Name |
Cotylenin A
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Synonyms |
COTYLENIN A; CHEMBL4206466; 12708-37-1; DTXSID601318107; BDBM50454781; cahydrodicyclopenta[a,d][8]annulene-1,5-diol; Q27452006; (1R,3as,4R,5R,6R,9ar,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicy; (1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-Hydroxy-2-(Methoxymethyl)-9-Methyl-9-[(2s)-Oxiran-2-Yl]-3,7,10,11-Tetraoxatricyclo[6.2.1.0~1,6~]undec-4-Yl}oxy)-1-(Methoxymethyl)-4,9a-Dimethyl-7-(Propan-2-Yl)-1,2,3,3a,4,5,6,8,9,9a-Decahydrodicyclopenta[a,D][8]annulene-1,5-Diol; 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de; 1F5
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Structure |
Download2D MOL |
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Formula |
C33H50O11
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Canonical SMILES |
CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O)C(C)C)C)(COC)O
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InChI |
1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1
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InChIKey |
SMQRKTIIIYTOTN-XWJJHAMOSA-N
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PubChem Compound ID |
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