2,4-Dihydroxy-6-propylbenzoic acid
PubChem CID: 20834
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| Compound Synonyms | 2,4-DIHYDROXY-6-PROPYLBENZOIC ACID, 4707-50-0, Divarinic Acid, DIVARIC ACID, CHEMBL3770020, 2,4-Dihydroxy-6-propyl-benzoic acid, 6-Propyl-b-resorcylic Acid, (7CI,8CI), 2,4-Dihydroxy-6-propylbenzoic Acid, Divaric Acid, Benzoic acid, 2,4-dihydroxy-6-propyl-, SCHEMBL2559667, DTXSID20197022, CHEBI:144145, RIVVNGIVVYEIRS-UHFFFAOYSA-N, BDBM50268485, MFCD20638461, 2,4-dihy-droxy-6-propyl benzoic acid, FD159730, H27994, EN300-6731369, A1-02509, Z1262512063 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q06124, P18031, P10586, P17706 |
| Iupac Name | 2,4-dihydroxy-6-propylbenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT206, NPT178 |
| Xlogp | 2.6 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RIVVNGIVVYEIRS-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.311 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.37 |
| Compound Name | 2,4-Dihydroxy-6-propylbenzoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.832495257142857 |
| Inchi | InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14) |
| Smiles | CCCC1=C(C(=CC(=C1)O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Prophetarum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cyclanthera Pedata (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scabiosa Tschiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all