Kuhlmannin
PubChem CID: 4412068
Connections displayed (default: 10).
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| Compound Synonyms | Kuhlmannin, 6-hydroxy-7,8-dimethoxy-4-phenylchromen-2-one, 6-Hydroxy-7,8-dimethoxy-4-phenylcoumarin, SPBio_002203, Spectrum_000560, SpecPlus_000638, Spectrum2_001992, Spectrum3_001261, Spectrum4_001594, Spectrum5_000308, BSPBio_002822, KBioGR_002208, KBioSS_001040, SPECTRUM240862, 20972-79-6, DivK1c_006734, CHEMBL1568181, SCHEMBL12062100, KBio1_001678, KBio2_001040, KBio2_003608, KBio2_006176, KBio3_002322, CHEBI:108605, CCG-39477, LMPK12100011, SDCCGMLS-0066486.P001, NCGC00095925-01, NCGC00095925-02, NCGC00178451-01, SR-05000002551, SR-05000002551-1, 6-hydroxy-7,8-dimethoxy-4-phenyl-1-benzopyran-2-one, BRD-K18149487-001-02-8, Q27187527 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, P51450, P08684, Q9NPD5, Q9Y6L6 |
| Iupac Name | 6-hydroxy-7,8-dimethoxy-4-phenylchromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT94, NPT109 |
| Xlogp | 2.7 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABUBCBFUQXIEAU-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.791 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.912 |
| Compound Name | Kuhlmannin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.277004618181818 |
| Inchi | InChI=1S/C17H14O5/c1-20-16-13(18)8-12-11(10-6-4-3-5-7-10)9-14(19)22-15(12)17(16)21-2/h3-9,18H,1-2H3 |
| Smiles | COC1=C(C=C2C(=CC(=O)OC2=C1OC)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Arnica Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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