Griseofulvin
PubChem CID: 441140
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| Compound Synonyms | griseofulvin, 126-07-8, (+)-Griseofulvin, Amudane, Griseofulvina, Griseofulvinum, Grifulvin, Grisactin, Grisefuline, Griseofulvine, Grisofulvin, Grizeofulvin, Spirofulvin, Grisovin, Lamoryl, Likuden, Fulcin, Grysio, Curling factor, Fulvicin, Poncyl, Delmofulvina, Fulvinil, Fulvistatin, Fungivin, Gresfeed, Grifulin, Griscofulvin, Griseomix, Guservin, Murfulvin, Fulcine, Fulvina, Greosin, Biogrisin-FP, Neo-Fulcin, Fulvican grisactin, Griseofulvin forte, Griseofulvin-forte, Fulvicin-P/G, Xuanjing, Grisactin V, Fulvidex (Veterinary), Griseofulvine [INN-French], Griseofulvinum [INN-Latin], Griseofulvina [INN-Spanish], Gricin, Griseo, GRISEOFULVIN, MICROCRYSTALLINE, Fulvidex, USAF SC-2, Griseofulvin microsize, Grisetin, Caswell No. 471B, Fulvicin-U/F, GRISEOFULVIN, ULTRAMICROCRYSTALLINE, CCRIS 320, MFCD00082343, HSDB 1722, fulvicin UF, EINECS 204-767-4, UNII-32HRV3E3D5, NSC 34533, EPA Pesticide Chemical Code 471400, NSC-755822, BRN 0095226, 32HRV3E3D5, DTXSID8020674, Grisovin FP, CHEBI:27779, AI3-51015, Griseofulvin permeability diameter, Griseofulvin (Standard), GRISEOFULVIN, ULTRAMICROSIZE, NSC-34533, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-, 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione, Grisactin Ultra, DTXCID20674, Fulvicin P/G, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione, Griseofulvin [USP:INN:BAN:JAN], 5-18-05-00150 (Beilstein Handbook Reference), 7-Chloro-2',4,6-trimethoxy-6'beta-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-Chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1'-(2'-methoxy-6'-methylcyclohex-2'-en-4'-one), (1'S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, (2S-trans)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (2S-trans)-, NCGC00091120-01, Griseofulvin (USP:INN), Griseofulvin [USP:INN], GRISEOFULVIN (IARC), GRISEOFULVIN [IARC], Griseofulvine (INN-French), Griseofulvinum (INN-Latin), Griseofulvina (INN-Spanish), GRISEOFULVIN (MART.), GRISEOFULVIN [MART.], (1'S-trans)- 7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione, ULTRAGRIS-165, ULTRAGRIS-330, GRISEOFULVIN (USP-RS), GRISEOFULVIN [USP-RS], Fulvicin Bolus, Fulvicin-U/F (Veterinary), Fulvicin Bolus (Veterinary), FULVICIN P/G 165, FULVICIN P/G 330, GRISEOFULVIN (EP MONOGRAPH), Griseofulvin (USP:INN:BAN:JAN), GRISEOFULVIN [EP MONOGRAPH], GRISEOFULVIN (USP MONOGRAPH), GRISEOFULVIN [USP MONOGRAPH], Griseofulvin, (+)-, (1'S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione, SMR000718755, Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S,6'R)-, GRISEOFULVIN PERMEABILITY DIAMETER (USP-RS), GRISEOFULVIN PERMEABILITY DIAMETER [USP-RS], SR-05000001535, 2884-22-2, GRISEOFULVIN POWDER, Griseofulvin and Alpha-IFN, GRISEOFULVIN, MICROSIZE, Amudane, Fulcin, Griseofulvin,(S), (+)-Epigriseofulvin, 7-Chloro-2',4,6-trimethoxy-6'alpha-methyl-spiro[benzofuran-2(3H)-1'-[2]cyclohexene]-3,4'-dione, (1'R,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione, (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro(1-benzofuran-2,1'-cyclohex(2)ene)-3,4'-dione, Prestwick_247, Grysio (Microsize), Grisactin V (TN), Gris-peg (TN), IDIFULVIN, Fulvicin U/F Powder, Griseofulvin,microsize, Fulvicin U/F Tablets, Spectrum_000816, CPD000718755, SpecPlus_000336, Griseofulvin (microsize), Griseofulviin (microsize), Prestwick3_000226, Spectrum2_000213, Spectrum3_000161, Spectrum4_000927, Spectrum5_000648, GRISEOFULVIN [MI], Ultramicrosize Griseofulvin, GRISEOFULVIN [INN], GRISEOFULVIN [JAN], CHEMBL562, GRISEOFULVIN [HSDB], Griseofulvin Oral Suspension, GRISEOFULVIN [VANDF], SCHEMBL21988, Amudane, Fulvicin, Grisactin, BSPBio_000271, BSPBio_001621, KBioGR_001454, KBioSS_001296, SPECTRUM200046, MLS001304062, MLS002152905, MLS002154239, BIDD:GT0024, DivK1c_000154, DivK1c_006432, GRISEOFULVIN [WHO-DD], GRISEOFULVIN [WHO-IP], Fulvicin U/F Bolus Veterinary, Griseofulvin (JAN/USP/INN), SPBio_000225, BPBio1_000299, MEGxm0_000184, ACon0_000953, ACon1_001843, BDBM31775, Fulvicin-U/F Powder and Tablets, Griseofulvin - Bio-X trade mark, HMS500H16, KBio1_000154, KBio1_001376, KBio2_001296, KBio2_003864, KBio2_006432, KBio3_001121, D01AA08, D01BA01, GRISEOFULVIN [GREEN BOOK], NINDS_000154, GLXC-04995, GRISEOFULVIN [ORANGE BOOK], HMS1923E09, HMS2091A03, HMS2095N13, HMS2235F13, HMS3259D05, HMS3712N13, Pharmakon1600-00200046, Ultramicrosize Griseofulvin Tablets, 7-CHLORO-2',4,6-TRIMETHOXY-6'.BETA.-METHYLSPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, Tox21_111087, Tox21_202235, Tox21_303005, CCG-38416, HY-17583R, LMPK13060001, NSC755822, s4071, GRISEOFULVINUM [WHO-IP LATIN], AKOS015896380, Tox21_111087_1, CS-3426, DB00400, FG23704, NC00616, SDCCGMLS-0066450.P001, IDI1_000154, NCGC00091120-02, NCGC00091120-03, NCGC00091120-04, NCGC00091120-05, NCGC00091120-06, NCGC00091120-07, NCGC00091120-08, NCGC00091120-09, NCGC00091120-13, NCGC00256353-01, NCGC00259784-01, (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methylbenzofuran-2-spiro-1'-cyclohex-2'-ene-3,4'-dione, AS-13736, BT164513, HY-17583, Griseofulvin 100 microg/mL in Acetonitrile, CS-0695022, G0384, NS00011725, EN300-52615, BIM-0051396.0001, C06686, D00209, AB00052005_07, Griseofulvin, VETRANAL(TM), analytical standard, Q416096, SR-01000837512, SR-01000837512-2, SR-05000001535-1, SR-05000001535-3, SR-05000001535-4, BRD-K08273968-001-05-9, BRD-K08273968-001-09-1, BRD-K08273968-001-16-6, BRD-K08273968-001-19-0, Z756424454, Griseofulvin, British Pharmacopoeia (BP) Reference Standard, Griseofulvin, from Penicillium griseofulvum, 97.0-102.0%, Griseofulvin, European Pharmacopoeia (EP) Reference Standard, (2S-TRANS)-7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYLSPIRO, Griseofulvin, United States Pharmacopeia (USP) Reference Standard, Griseofulvin Permeability Diameter, United States Pharmacopeia (USP) Reference Standard, Griseofulvin, Pharmaceutical Secondary Standard, Certified Reference Material, (1'S-trans)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione, (2S)-trans-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2[3H],1'-[2]cyclohexene)-3,4'-dione, (2S)-trans-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2[3H],1'-[2]cyclohexene)-3,4'-dione, Amudane, Fulcin, (2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzo(b)furan-2(3H),1'-(cyclohex-2'-ene))-3,4'-dione, 107912-37-8, 204-767-4, 7-CHLORO-2',4,6-TRIMETHOXY-6'-BETA-SPIRO(BENZOFURAN-2(3H), 1'-(2)CYCLOHEXENE-3,4'-DIONE, 7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYLSPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7-Chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1',- [2]cyclohexene]-3,4'-dione, 7-CHLORO-4,6-DIMETHOXYCOUMARAN-3-ONE-2-SPIRO-1'-(2'-MET HOXY-6'-METHYLCYCLOHEX-2'-EN-4'-ONE), 7-CHLORO-4,6-DIMETHOXYCOUMARAN-3-ONE-2-SPIRO-1'-(2'-METHOXY)-6'-METHYLCYCLO-HEX-2'-EN-4'-ONE, SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7 -CHLORO-2',4,6-TRIMETHOXY-6'-BETA-METHYL-, SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7-CHLORO-2',4,6-TRIMETHOXY-6'BETA-METHYL- |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q16850, Q99714, B2RXH2, Q16637, P16473, P25779, P00352, P15428, P08684, n.a., Q16236, Q96QE3, P19793, Q12809, P10275, Q03181, P03372, P37231, P25094, O75496, Q9HC16, Q99700, Q9R1A7, P51449, O42275, P81908, Q9NUW8, O75874, Q9Y6L6, Q9NPD5, O15245, P10635, P11712, P0DTD1 |
| Iupac Name | (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT2217, NPT149, NPT48, NPT93, NPT210, NPT94, NPT151, NPT109, NPT613 |
| Xlogp | 2.2 |
| Molecular Formula | C17H17ClO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DDUHZTYCFQRHIY-RBHXEPJQSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -4.621 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.619 |
| Compound Name | Griseofulvin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.071 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3875740000000008 |
| Inchi | InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 |
| Smiles | C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Obliqua (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Source_db:npass_chem_all