Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BS9V0F
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| Binder Name |
Crocin
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| Synonyms |
alpha-Crocin; Gardenia Yellow; Crocin 1; Crocine; crocin-1; Crocin I; Crocetin bis(gentiobiosyl) ester; UNII-877GWI46C2; Crocetin digentiobiose ester; all-trans-Crocetin di-beta-D-gentiobiosyl ester; crocetin di-gentiobiose ester; CHEMBL446785; 877GWI46C2; NCGC00160471-01; Crocin A; CCRIS 678; CCRIS 7705; crocetin digentiobiosyl ester; EINECS 255-881-6; BRN 6473367; Crocin-I; HSDB 8211; Natural red 1; EINECS 254-465-1; Natural yellow 19; Saffron (JP15); crocetin digentiobioside; trans-Crocetin di(beta-D-gentiobiosyl) ester; DSSTox_CID_1457; DSSTox_RID_81403; DSSTox_GSID_46172; SCHEMBL1463936; DTXSID7046172; bis(beta-D-gentiobiosyl) crocetin; HMS3887O07; Crocetin Di(Beta-Gentiobiosyl)Ester; HY-N0697; crocetin di-beta-D-gentiobiose ester; Tox21_111837; BDBM50260195; s9511; AKOS015896765; ZINC245224178; DB11874; NCGC00160471-02; C.I. 75100; CS-0009714; N1653; N1661; N1889; trans-crocetin bis(beta-D-gentiobiosyl) ester; C08589; Q424767; All-trans-crocetin di-beta-delta-gentiobiosyl ester; UNII-F32BA2H92Z component SEBIKDIMAPSUBY-RTJKDTQDSA-N
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C44H64O24
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| Canonical SMILES |
C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\\C
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| InChI |
1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
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| InChIKey |
SEBIKDIMAPSUBY-RTJKDTQDSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:79068
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