Nervogenic acid
PubChem CID: 5320129
Connections displayed (default: 10).
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| Compound Synonyms | Nervogenic acid, 17622-86-5, 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid, Benzoic acid, 4-hydroxy-3,5-bis(3-methyl-2-butenyl)-, 4-Hydroxy-3,5-bis(3-methyl-2-buten-1-yl)benzoic acid, Nervogenicacid, C17H22O3, 4-Hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzoic acid, CHEMBL500669, HY-N3192, AKOS027276419, DA-56114, FS-10486, CS-0023542 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C17H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LSVOBJIOONAGLU-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.166 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.189 |
| Compound Name | Nervogenic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.551532 |
| Inchi | InChI=1S/C17H22O3/c1-11(2)5-7-13-9-15(17(19)20)10-14(16(13)18)8-6-12(3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,20) |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Alnobetula (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bassia Latifolia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cirsium Lineare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Liparis Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Litsea Wightiana (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all