5-O-Methylvisamminol
PubChem CID: 441970
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| Compound Synonyms | 5-O-Methylvisamminol, 80681-42-1, (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one, 5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-, (2S)-, DTXSID10331695, (S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2H-furo[3,2-g]chromen-5(3H)-one, (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro(3,2-g)chromen-5-one, C09016, CHEBI:2110, SCHEMBL4740689, 5-O-Methylvisamminol (Standard), HY-N7206R, DTXCID60282789, HY-N7206, LMPK13110002, AKOS040760232, DA-70254, MS-24139, PD164924, CS-0105176, G13536, Q27105556, (2S)-2-(2-HYDROXYPROPAN-2-YL)-4-METHOXY-7-METHYL-2H,3H,5H-FURO[3,2-G]CHROMEN-5-ONE |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DGFLRNOCLJGHLY-ZDUSSCGKSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.552 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.984 |
| Compound Name | 5-O-Methylvisamminol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.559633952380952 |
| Inchi | InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1 |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients