Compound: Marmesin
SMILES: O=c1oc2c(cc3C[C@H](Oc3c2)C(O)(C)C)cc1
InChIKey: FWYSBEAFFPBAQU-LBPRGKRZSA-N
Synonyms: Marmesin, 13849-08-6, (+)-Marmesin, S-(+)-Marmesin, (S)-Marmesin, (S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one, H5D33D6K5D, NSC-340840, (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one, CHEBI:6695, DTXSID001030448, (2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-, CHEBI:49080, (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one, (S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo(3,2-g)chromen-7-one, (2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)chromen-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-, RefChem:155909, DTXCID201515535, 2-(2-Hydroxy-2-propanyl)-2,3-dihydro-7H-furo(3,2-g)chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (7S)-marmesin, (S)-2-(2-Hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one, MFCD01725701, MARMESIN, (+)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-, CHEMBL442813, (S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, (2S)-2-(2-HYDROXYPROPAN-2-YL)-2H,3H,7H-FURO[3,2-G]CHROMEN-7-ONE, (+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, (S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, (+)-Marmesin;(S)-Marmesin, CCRIS 5728, 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (2S)-, S(+)-Marmesin, NSC 340840, Spectrum_001516, SpecPlus_000918, Spectrum2_000737, Spectrum3_001642, Spectrum4_001701, Spectrum5_000402, Marmesin ((+)-Marmesin), UNII-H5D33D6K5D, BSPBio_003363, KBioGR_002022, KBioSS_001996, DivK1c_007014, S-(+)-Marmesin (Standard), SPBio_000694, MEGxp0_001933, orb1301517, orb3140878, 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #, SCHEMBL12062107, SCHEMBL30977125, HSDB 8478, HY-N2176R, KBio1_001958, KBio2_001996, KBio2_004564, KBio2_007132, KBio3_002583, FWYSBEAFFPBAQU-LBPRGKRZSA-N, HY-N2176, BDBM50250917, CCG-40145, NSC340840, NSC796156, s3283, AKOS021983162, CS-7901, EBC-616313, FM74296, NSC-796156, SDCCGMLS-0066759.P001, 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-, AC-35105, DA-65255, MS-23486, NS00094519, C09276, AB00053150-02, BRD-K36377456-001-02-0, Q13847605, 7H-Furo[3, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (+)-, 7H-Furo[3, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-, (2S)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one, 2-(2-HYDROXYPROPAN-2-YL)-2H,3H,7H-FURO[3,2-G]CHROMEN-7-ONE, 7H-Furo[3, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-, (2S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (+)-, NCGC00178117-02!(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Theoretical properties:
molecular_formula: C14H14O4
molecular_weight: 246.26 g/mol
exact_mass: 246.08920892 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 18
topological_polar_surface_area: 55.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin.
chembl: MARMESIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Marmesin (nodakenetin) is a chemical compound precursor in psoralen and linear furanocoumarins biosynthesis.
Marmesin plays a central role in the biosynthesis of furocoumarins in the plant Ruta graveolens, more commonly known as rue. It is the biosynthetic precursor for psoralen and other furocoumarins present in rue. It also a constituent of Aegle marmelos, Ammi majus, Poncirus trifoliata and Prangos bucharica and others