Evernic Acid
PubChem CID: 10829
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| Compound Synonyms | Evernic acid, 537-09-7, NSC 81164, EINECS 208-658-2, 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid, UNII-2EQ5W5403J, BRN 2227186, 2EQ5W5403J, NSC-81164, Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-6-methylbenzoyl)oxy)-6-methyl-, 4-((4-Methoxy-6-methylsalicyloyl)oxy)-6-methylsalicylic acid, DTXSID20201956, 3-10-00-01488 (Beilstein Handbook Reference), 2,6-CRESOTIC ACID, 4-METHOXY-, 4-ESTER with 6-METHYL-beta-RESORCYLATE, 2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylic acid, 4-[(4-methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acid, 2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-.beta.-resorcylate, 2,6-CRESOTIC ACID, 4-METHOXY-, 4-ESTER WITH 6-METHYL-.BETA.-RESORCYLIC ACID, Evernic acid, pruiss, Evernsaure, Evernate, Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methyl-, MFCD00045824, SpecPlus_000646, 2-Hydroxy-4-[2-hydroxy-4-methoxy-6-methylbenzoyloxy]-6-methylbenzoic acid, Oprea1_749224, MLS001049100, DivK1c_006742, REGID_for_CID_10829, SCHEMBL2552354, CHEMBL1484978, KBio1_001686, DTXCID50124447, CHEBI:111284, GODLCSLPZIBRMG-UHFFFAOYSA-N, HMS2267A10, NSC81164, BDBM50491952, AKOS015969692, CCG-231001, FE65686, NCGC00246189-01, SMR000386932, WLN: QR CQ E1 DVOVR BQ F1 DO1, HY-121362, CS-0081796, NS00018299, AB00053221-08, Q27190901, 2, 4-methoxy-, 4-ester with 6-methyl-.beta.-resorcylate, 2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylic acid (8CI), 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-6-methyl-benzoic acid, Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-6-methylbenzoyl)oxy)-6-methyl-(9CI) |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q03164, Q194T2, P06746, P39748, P08659, O75496, P37840, P0AEK4, Q8WZA2, Q03431, P63092 |
| Iupac Name | 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1038, NPT59 |
| Xlogp | 4.0 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GODLCSLPZIBRMG-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.515 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.975 |
| Compound Name | Evernic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.42256 |
| Inchi | InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21) |
| Smiles | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbophyllum Odoratissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all