Piperonylic Acid
PubChem CID: 7196
Connections displayed (default: 10).
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| Compound Synonyms | PIPERONYLIC ACID, 94-53-1, 1,3-Benzodioxole-5-carboxylic acid, Benzo[d][1,3]dioxole-5-carboxylic acid, Heliotropic acid, 3,4-Methylenedioxybenzoic acid, Protocatechuic acid methylene ether, benzo[1,3]dioxole-5-carboxylic acid, 3,4-(Methylenedioxy)benzoic acid, 2H-1,3-Benzodioxole-5-Carboxylic Acid, 5-Benzodioxolecarboxylic acid, MFCD00005830, 3,4-Dioxymethylenebenzoic acid, 3,4-Methylene dioxybenzoic acid, NSC 10072, Benzoic acid, 3,4-(methylenedioxy)-, QX3V1NO0KH, EINECS 202-342-8, AI3-05972, NSC-10072, PIPERONYLIC ACID [MI], DTXSID6059104, CHEBI:107644, 1,3-dioxaindane-5-carboxylic acid, PIPERONYLIC ACID-2,2-D2, benzo(d)(1,3)dioxole-5-carboxylic acid, UNII-QX3V1NO0KH, piperonylsaure, 4ddk, 0HN, Spectrum_001164, Piperonylic acid, 99%, Spectrum3_001022, Spectrum4_001152, 5Benzodioxolecarboxylic acid, 5-carboxy-1,3-benzodioxole, BSPBio_002803, KBioGR_001723, KBioSS_001644, SPECTRUM500580, 3,4Dioxymethylenebenzoic acid, SCHEMBL142318, 3,4Methylene dioxybenzoic acid, CHEMBL573781, 1,3Benzodioxole5carboxylic acid, PIPERONYLIC ACID [INCI], 3,4-methylenedioxy-benzoic acid, DTXCID7048902, KBio2_001644, KBio2_004212, KBio2_006780, KBio3_002023, VDVJGIYXDVPQLP-UHFFFAOYSA-, Benzoic acid,4-(methylenedioxy)-, BDBM153299, benzoic acid, 3,4-methylenedioxy-, 3, 4-(Methylenedioxy)benzoic acid, 3,4-(Methylenedioxy)-Benzoic acid, Benzoic acid, 3,4(methylenedioxy), CS-D1455, NSC10072, STR05605, BBL011979, STK397540, 1,3-Benzodioxole -5-carboxylic acid, 1,3-benzodioxole-5-carbonsäure, AKOS000113163, benzo[1,3]-dioxole-5-carboxylic acid, BS-3899, CCG-214272, FB34327, PB47803, SDCCGMLS-0065919.P001, SDCCGMLS-0065919.P002, Benzo[d][1,3]dioxole-5-carboxylicacid, Benzo[d][I,3]dioxole-5-carboxylic acid, NCGC00095970-01, NCGC00095970-02, AC-11342, HY-41404, SY004612, 1,3-Benzodioxole-5-carboxylic acid, 9CI, Piperonylic acid, purum, >=97.0% (T), DB-011499, NS00040406, P0459, EN300-20111, F16336, 3,4-(Methylenedioxy)benzoic acid, Piperonylic acid, AE-562/40258182, BRD-K52148119-001-01-5, BRD-K52148119-001-02-3, Q27185967, F3318-0150, Z104476884, 3,4-Methylenedioxybenzoic acid, 1,3-Benzodioxole-5-carboxylic acid, InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10), 202-342-8 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, Q6IB77, P00352, P28482, n.a., Q43054 |
| Iupac Name | 1,3-benzodioxole-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Benzodioxoles |
| Target Id | NPT94, NPT282 |
| Xlogp | 0.4 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C8H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.528 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 1.438 |
| Synonyms | 3,4-Methylenedioxybenzoate, 1,3-Benzodioxole-5-carboxylic acid, 1,3-Benzodioxole-5-carboxylic acid, 9ci, 3, 4-(Methylenedioxy)benzoic acid, 3,4-(Methylenedioxy)-benzoic acid, 3,4-(Methylenedioxy)benzoic acid, 3,4-Dioxymethylenebenzoic acid, 3,4-Methylene dioxybenzoic acid, 5-Benzodioxolecarboxylic acid, Heliotropic acid, Piperonylic acid, Protocatechuic acid methylene ether, 2H-1,3-Benzodioxole-5-carboxylate, Piperonylic acid, sodium salt |
| Compound Name | Piperonylic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 166.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.5348184 |
| Inchi | InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| Smiles | C1OC2=C(O1)C=C(C=C2)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzodioxoles |
- 1. Outgoing r'ship
FOUND_INto/from Asplenium Adiantum-Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Beaucarnea Recurvata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Centaurea Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cotylelobium Scabriusculum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cratystylis Conocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Derris Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Diospyros Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Diospyros Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Diospyros Peregrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Distemonanthus Benthamianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Gutenbergia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Mikania Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Phyllodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Scorzonera Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Trapa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all