Altenusin
PubChem CID: 6918469
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| Compound Synonyms | Altenusin, 31186-12-6, Alutenusin, 2-(4,5-dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoic acid, WM31322YA1, MS 341, MS-341, [1,1'-Biphenyl]-2-carboxylicacid, 3,4',5'-trihydroxy-5-methoxy-2'-methyl-, UNII-WM31322YA1, MLS000877038, CHEBI:141340, 3,4',5'-Trihydroxy-5-methoxy-2'-methyl-[1,1'-biphenyl]-2-carboxylic acid, SMR000440664, 2-(4,5-dihydroxy-2-methyl-phenyl)-6-hydroxy-4-methoxy-benzoic acid, 2,4',5'-Trihydroxy-5-methoxy-2'-methyl-(1,1'-biphenyl)-2-carboxylic acid, (1,1'-Biphenyl)-2-carboxylic acid, 2,4',5'-trihydroxy-5-methoxy-2'-methyl-, (1,1'-BIPHENYL)-2-CARBOXYLIC ACID, 3,4',5'-TRIHYDROXY-5-METHOXY-2'-METHYL-, 3,4',5'-TRIHYDROXY-5-METHOXY-2'-METHYL(1,1'-BIPHENYL)-2-CARBOXYLIC ACID, 1402-75-1, 3,4',5'-trihydroxy-5-methoxy-2'-methyl(biphenyl)-2-carboxylic acid, 3,4',5'-trihydroxy-5-methoxy-2'-methyl[biphenyl]-2-carboxylic acid, [1,1'-Biphenyl]-2-carboxylic acid, 3,4',5'-trihydroxy-5-methoxy-2'-methyl-, MLS004257367, CHEMBL483531, MEGxm0_000134, Altenusin, >=98% (HPLC), SCHEMBL16224897, ACon0_001034, ACon1_000227, BDBM50576, cid_6918469, DTXSID50953279, GLXC-15967, HMS2267A11, AKOS030533235, DA-70736, TS-09903, HY-121153, CS-0079551, NS00097144, BRD-K99407061-001-01-8, Q27292712, CC1=CC(O)=C(O)C=C1C2=CC(OC)=CC(O)=C2C(O)=O, 2-(4,5-Dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoate, 2,4',5'-Trihydroxy-5-methoxy-2'-methyl-(1,1'-biphenyl)-2-carboxylate, 4-methoxy-2-[2-methyl-4,5-bis(oxidanyl)phenyl]-6-oxidanyl-benzoic acid |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P31749, O60285, O14965, Q96GD4, P15056, P24385, P41279, P00533, P54760, P24941, P04626, Q05397, P08069, P12931, P35968, P35916, P36888, P06213, P08581, P09619, P53350, P68400, O00444, Q02763, P46063, B2RXH2, Q27686, P10636, Q962Y6, Q9XUB2, P28482, Q07820, P06746, P10253, G5EF15, O75164, Q9BHT9, Q92830, O15648, Q96KQ7, Q9UIF8, Q13951, P83916, P11413, O89049, P39748, Q9UNA4, Q9Y253, Q9UBT6, P08659, O75496, O94925, P63092, Q57TT1, Q9NUW8, P37840, P27695 |
| Iupac Name | 2-(4,5-dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT48, NPT51, NPT282, NPT57, NPT59, NPT60, NPT905 |
| Xlogp | 2.9 |
| Molecular Formula | C15H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADPBTBPPIIKLEH-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.375 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.166 |
| Compound Name | Altenusin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6852877428571427 |
| Inchi | InChI=1S/C15H14O6/c1-7-3-11(16)12(17)6-9(7)10-4-8(21-2)5-13(18)14(10)15(19)20/h3-6,16-18H,1-2H3,(H,19,20) |
| Smiles | CC1=CC(=C(C=C1C2=C(C(=CC(=C2)OC)O)C(=O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sonneratia Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccaria Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all