4-Methyl-6,7-methylenedioxycoumarin
PubChem CID: 609315
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| Compound Synonyms | 15071-04-2, 4-Methyl-6,7-methylenedioxycoumarin, 4-Methylayapin, 8-Methyl-6H-[1,3]dioxolo[4,5-g]chromen-6-one, 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one, 6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-one, 8-methyl-, 8-METHYL-2H-[1,3]DIOXOLO[4,5-G]CHROMEN-6-ONE, MFCD00143343, Oprea1_675013, MLS001164725, CHEMBL1592675, SCHEMBL24270279, DTXSID50346066, XAOGHIKJQRXPHX-UHFFFAOYSA-N, HMS2876M20, STL560732, 4-Methyl-6,7-methylenedioxy coumarin, AKOS003620980, SMR000539918, TS-09579, DB-358434, M0971, T71815, SR-01000195988, SR-01000195988-1, 8-Methyl-6H-[1,3]dioxolo[4,5-g]chromen-6-one # |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02791, P04062, O89049, P84022, P17405 |
| Iupac Name | 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAOGHIKJQRXPHX-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -3.167 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.148 |
| Compound Name | 4-Methyl-6,7-methylenedioxycoumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.191455533333333 |
| Inchi | InChI=1S/C11H8O4/c1-6-2-11(12)15-8-4-10-9(3-7(6)8)13-5-14-10/h2-4H,5H2,1H3 |
| Smiles | CC1=CC(=O)OC2=CC3=C(C=C12)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Lanceolata (Plant) Rel Props:Source_db:npass_chem_all