T8B
Thermorubin
Find entries where: T8B
is present as a standalone ligand in 3 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | Thermorubin |
| Synonyms | {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid |
| Identifiers | 2-[9-[(Z)-3-(2-hydroxyphenyl)-3-oxidanyl-prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-12-oxidanyl-1-oxidanylidene-naphtho[3,2-g]isochromen-8-yl]ethanoic acid |
| Formula | C32 H24 O12 |
| Molecular Weight | 600.526 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC |
| InChI | InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13- |
| InChIKey | GGEDVBUCHDZLTH-MOSHPQCFSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 68 |
| Chiral Atom Count | 0 |
| Bond Count | 72 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5458199 |
| ChEMBL | CHEMBL2261578 |
| ChEBI | CHEBI:48480 |
