Proglobeflowery acid
PubChem CID: 132759
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| Compound Synonyms | Proglobeflowery acid, 146367-85-3, 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid, 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid, DTXSID00163361, 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid, Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)-, DTXCID2085852, CHEBI:84442 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C13H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DWHDSRHHYMSXSP-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -3.751 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.67 |
| Compound Name | Proglobeflowery acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 236.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.179482270588235 |
| Inchi | InChI=1S/C13H16O4/c1-8(2)4-5-9-6-10(13(15)16)7-11(17-3)12(9)14/h4,6-7,14H,5H2,1-3H3,(H,15,16) |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trollius Macropetalus (Plant) Rel Props:Source_db:cmaup_ingredients