Minumicrolin
PubChem CID: 6426907
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| Compound Synonyms | Minumicrolin, Murpanidin, (+)-Murpanidin, 88546-96-7, 2H-1-Benzopyran-2-one, 8-((1S,2S)-1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-, 13R570833L, UNII-13R570833L, 8-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one, 2H-1-Benzopyran-2-one, 8-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-, (S-(R*,R*))-, 8-((1S,2S)-1,2-Dihydroxy-3-methyl-3-buten-1-yl)-7-methoxy-2H-1-benzopyran-2-one, Murrangatin, 8-((1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one, 2H-1-Benzopyran-2-one, 8-[(1R,2S)-1,2-dihydroxy-3-methyl-3-buten-1-yl]-7-methoxy-, rel-(-)-, HY-N3254, AKOS040762060, DA-65473, CS-0023723 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 8-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DKEANOQWICTXTP-KBPBESRZSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -2.695 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.464 |
| Compound Name | Minumicrolin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 276.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6337855999999995 |
| Inchi | InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14-/m0/s1 |
| Smiles | CC(=C)[C@@H]([C@H](C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients