Cuneatin methyl ether
PubChem CID: 343083
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| Compound Synonyms | Cuneatin methyl ether, 4253-00-3, 3RJ8MHV0O7, Cuneatin-7-methyl ether, 7-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, UNII-3RJ8MHV0O7, 7-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one, NSC 382030, Maxima isoflavone G methyl ether, NSC382030, NSC-382030, DTXSID30195317, 2',7-DIMETHOXY-4',5'-METHYLENEDIOXYISOFLAVONE, ISOFLAVONE, 2',7-DIMETHOXY-4',5'-(METHYLENEDIOXY)-, 7-METHOXY-3-(6-METHOXY-1,3-BENZODIOXOL-5-YL)-4H-1-BENZOPYRAN-4-ONE, 4H-1-BENZOPYRAN-4-ONE, 7-METHOXY-3-(6-METHOXY-1,3-BENZODIOXOL-5-YL)-, Spectrum_000208, SpecPlus_000925, Spectrum2_000401, Spectrum3_000255, Spectrum4_001550, Spectrum5_000120, BSPBio_001670, KBioGR_002020, KBioSS_000688, DivK1c_007021, SPBio_000322, SCHEMBL1675988, CHEMBL1976532, CHEBI:93558, KBio1_001965, KBio2_000688, KBio2_003256, KBio2_005824, KBio3_001170, DTXCID40117808, CCG-39974, LMPK12050088, NCI60_003640, XC161691, 7,2'-dimethoxy-4',5'-methylenedioxyisoflavone, SR-05000002583, SR-05000002583-1, BRD-K89225759-001-01-3, Q27165253, 7-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-benzopyran-4-one, 7,2?-Dimethoxy-4? 5?-methylenedioxyisoflavone, 7-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one, Cuneatin methyl eth er |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSPWKPQQHHCXLR-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.669 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.043 |
| Compound Name | Cuneatin methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5129181333333337 |
| Inchi | InChI=1S/C18H14O6/c1-20-10-3-4-11-15(5-10)22-8-13(18(11)19)12-6-16-17(24-9-23-16)7-14(12)21-2/h3-8H,9H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Natalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cassytha Melantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all