Thelephoric acid
PubChem CID: 135464206
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| Compound Synonyms | Thelephoric acid, 479-64-1, CHEMBL3236668, Thelephorsaure, 2,3,8,9-Tetrahydroxybenzo[1,2-b:4,5-b']bisbenzofuran-6,12-dione, GGQ7FB8C8B, CHEBI:144238, DTXSID201028792, BDBM50008823, 2,3,8,9-Tetrahydroxybenzo[1,2-b:4,5-b']bisbenzofuran-6,12-dione, 9CI, 2,3,8,9-Tetrahydroxybenzo[b][1]benzofuro[2,3-f][1]benzofuran-6,12-dione, Benzo[1,2-b:4,5-b']bisbenzofuran-6,12-dione, 2,3,8,9-tetrahydroxy-, 6,7,16,17-Tetrakis(oxidanyl)-10,20-dioxapentacyclo(11.7.0.03,11.04,9.014,19)icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,16,17-tetrahydroxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione |
| Prediction Hob | 0.0 |
| Target Id | NPT1478 |
| Xlogp | 2.9 |
| Molecular Formula | C18H8O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PDICCECAPKBDBB-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.588 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.156 |
| Compound Name | Thelephoric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.022 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 352.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.375882492307692 |
| Inchi | InChI=1S/C18H8O8/c19-7-1-5-11(3-9(7)21)25-17-13(5)15(23)18-14(16(17)24)6-2-8(20)10(22)4-12(6)26-18/h1-4,19-22H |
| Smiles | C1=C2C(=CC(=C1O)O)OC3=C2C(=O)C4=C(C3=O)C5=CC(=C(C=C5O4)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Derris Amazonica (Plant) Rel Props:Source_db:cmaup_ingredients