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| CAS Number | 82-02-0 |
| Catalog Number | AG00G2HU(AGN-PC-0JK6ON) |
| Chemical Name | khellin |
| EC Number | 201-392-8 |
| IUPAC Name | 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one |
| InChI | InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3 |
| InChI Key | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| MDL Number | MFCD00005007 |
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.2421 |
| SMILES | O(C)c1c2c(c(c3c1cco3)OC)oc(cc2=O)C |
| UNII | 5G117T0TJZ |
| Synonyms | Khellin,
Visammin,
khellin,
82-02-0,
Visammin,
Amicardine,
Methafrone,
Coronin,
Amikellin,
Ammipuran,
Ammivisnagen,
Benecardin,
Corafurone,
Gynokhellan,
Medekellin,
Viscardan,
Kelourin,
Rykellin,
Interkhellin,
Ammispasmin,
Deltoside,
Interkellin,
Kalangin,
Kelicorin,
Kelincor,
Khelangin,
Khellamine,
Khellanals,
Khellinorm,
Visammimix,
Visnagalin,
Kelamin,
Norkel,
Kellosal,
Khelfren,
Khelisem,
Khelloyd,
Lynamine,
Mefurina,
Simeskellina,
Vasokellina,
Visnagen,
Amiptan,
Ammivin,
Chellin,
Kelicor,
Kellin,
Kellina,
Keloid,
Eskel,
Cardio-khellin,
Ammi-khellin,
Bi-Kellina,
Benekardin,
Khelline I,
Chellina,
Khelline,
Ammicardine,
Khellinum,
Quelina,
Chellina [Italian],
5,8-Dimethoxy-2-methyl-6,7-furanochromone,
Khellin [INN:DCF],
Viscardin,
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one,
Khelline [INN-French],
Khellinum [INN-Latin],
Quelina [INN-Spanish],
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-,
5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone,
UNII-5G117T0TJZ,
IT-033,
5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone,
4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-(f)indene,
4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)(1)benzopyran,
4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)-1,2-chromene,
C14H12O5,
NSC37744,
EINECS 201-392-8,
4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one,
NSC 25509,
NSC 37744,
5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-,
BRN 0263185,
Chorafurone,
Vismagen,
Khell,
AI3-52114,
MLS000028448,
5G117T0TJZ,
CHEBI:6133,
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one,
NSC8519,
HSMPDPBYAYSOBC-UHFFFAOYSA-N,
5,7-furanochromone,
MFCD00005007,
CAS-82-02-0,
NCGC00016327-01,
SMR000058278,
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one,
4,2-g][1]benzopyran,
4,8-dioxabenz-[f]indene,
4,2-g]-1,2-chromene,
DSSTox_CID_25267,
DSSTox_RID_80779,
DSSTox_GSID_45267,
5,5'-furo-6,7-chromone,
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one,
5,5'-furano-6,7-chromone,
5,9-dimethoxy-2-methylfurano[3,2-g]chromen-4-one,
4,2-g][1]benzopyran-5-one,
5H-Furo[3, 4,9-dimethoxy-7-methyl-,
WLN: T C566 DO JV MOJ BO1 HO1 L1,
SR-01000000072,
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran,
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene,
Gynokhellin,
Intercellin,
Hkelfren,
Prestwick_287,
Spectrum_000079,
Khellin, for microscopy,
Opera_ID_372,
Prestwick0_000091,
Prestwick1_000091,
Prestwick2_000091,
Prestwick3_000091,
Spectrum2_000593,
Spectrum3_000654,
Spectrum4_001557,
Spectrum5_000154,
bmse000751,
AC1L1GT2,
SCHEMBL9655,
Khellin, analytical standard,
BSPBio_000042,
BSPBio_002287,
KBioGR_002054,
KBioSS_000479,
SPECTRUM210866,
5-19-06-00320 (Beilstein Handbook Reference),
MLS001076533,
CHEMBL44746,
DivK1c_000046,
SPBio_000466,
SPBio_001981,
AC1Q698Q,
BPBio1_000048,
MEGxp0_000331,
DTXSID9045267,
ACon0_000983,
ACon1_000350,
HMS500C08,
HSMPDPBYAYSOBC-UHFFFAOYSA-,
KBio1_000046,
KBio2_000479,
KBio2_003047,
KBio2_005615,
KBio3_001507,
ZINC56654,
NINDS_000046,
HMS1568C04,
HMS1923M07,
HMS2095C04,
HMS2230B16,
HMS3371C21,
HMS3712C04,
Pharmakon1600-00210866,
ALBB-025052,
KS-000014VM,
NSC-8519,
NSC25509,
Tox21_110374,
CCG-36453,
LMPK13110001,
NSC-25509,
NSC-37744,
NSC755826,
SBB072185,
AKOS002281934,
Tox21_110374_1,
API0003088,
MCULE-6233012340,
NSC-755826,
SDCCGMLS-0003040.P003,
IDI1_000046,
NCGC00016327-02,
NCGC00016327-03,
NCGC00016327-04,
NCGC00016327-05,
NCGC00016327-06,
NCGC00016327-07,
NCGC00016327-08,
NCGC00016327-09,
NCGC00016327-11,
NCGC00023424-03,
NCGC00023424-04,
NCGC00169160-01,
NCGC00169160-02,
NCGC00169160-03,
4CN-0721,
AS-35307,
LS-70711,
ST076676,
SBI-0051567.P002,
FT-0627578,
K0039,
R1111,
W2041,
C09010,
AB00052134_16,
4,9-Dimethoxy-7-methyl-furo[3,2-g]chromen-5-one,
SR-01000000072-3,
SR-01000000072-4,
SR-01000000072-5,
SR-01000000072-6,
BRD-K80353807-001-05-5,
BRD-K80353807-001-06-3,
BRD-K80353807-001-16-2,
4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene,
4,9-dimethoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one,
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one #,
5H-Furo[3,2-g][1]benzopyran-5-one,4,9-dimethoxy-7-methyl-,
NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one,
InChI=1/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3,
amicardien,
Euphorin,
khellin-,
CHROMONE,
Khellin [DCF:INN],
D0G4KG,
CID3828,
AR-1I2711,
C14-H12-O5,
K-3400,
D007666,
86674-51-3,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.245g/mol |
| Monoisotopic Mass | 260.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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