Compound: anisindione
SMILES: O=C1c2c(cccc2)C(C1c3ccc(OC)cc3)=O
InChIKey: XRCFXMGQEVUZFC-UHFFFAOYSA-N
Synonyms: anisindione, 117-37-3, Miradon, 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione, Anisin indandione, Unidone, 2-p-Anisyl-1,3-indandione, Anisindiona, Anisindionum, 2-(4-Methoxyphenyl)indan-1,3-dione, 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-, 2-(p-Methoxyphenyl)indane-1,3-dione, 2-(4-methoxyphenyl)indene-1,3-dione, 2-para-Anisyl-1,3-indandione, 2-(p-Methoxyphenyl)-1,3-indandione, SPE 2792, DTXSID3022611, S747T1ERAJ, NSC-759629, 1,3-Indandione, 2-(p-methoxyphenyl)-, 1,3-Indanedione, 2-(4-methoxyphenyl)-, 2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione, DTXCID102611, CHEBI:133809, RefChem:54219, 204-186-6, MFCD00176194, Anisindione (INN), CHEMBL712, 2-(4-Methoxy-phenyl)-indan-1,3-dione, MLS000554135, NCGC00094969-01, SMR000146452, ANISINDIONE [INN], Anisindionum [INN-Latin], Anisindiona [INN-Spanish], CAS-117-37-3, Miradon (TN), HSDB 3205, SR-01000642873, EINECS 204-186-6, UNII-S747T1ERAJ, BRN 1880681, Anisindione [INN:BAN:NF], Miradon;, 2-(4-methoxyphenyl)indane-1,3-dione, Spectrum_001355, ANISINDIONE [MI], Opera_ID_1613, Spectrum2_000427, Spectrum3_001525, Spectrum4_000723, Spectrum5_000960, ANISINDIONE [HSDB], ANISINDIONE [VANDF], A1AT0, ANISINDIONE [MART.], Oprea1_729452, SCHEMBL49379, ANISINDIONE [WHO-DD], BSPBio_002910, KBioGR_000986, KBioSS_001835, 3-08-00-02931 (Beilstein Handbook Reference), MLS001201835, DivK1c_000336, SPECTRUM1502198, 2-[4-(methyloxy)phenyl]-1H-indene-1,3(2H)-dione, SPBio_000414, GTPL6960, orb1308650, SCHEMBL29688105, 2- p -Anisyl-1,3-indanedione, HMS501A18, KBio1_000336, KBio2_001835, KBio2_004403, KBio2_006971, KBio3_002410, ANISINDIONE [ORANGE BOOK], NINDS_000336, HMS1921L18, HMS2092F04, HMS2231B10, HMS3369M11, HMS5083M07, Pharmakon1600-01502198, HY-B0924, Isopropyl N-Acetyl-?-D-glucosamine, Tox21_111370, BDBM50280155, CCG-40244, EBC-26326, NSC759629, STK363125, AKOS000987728, Tox21_111370_1, DB01125, NSC 759629, IDI1_000336, 1,3-Indandione, 2-(4-methoxyphenyl)-, NCGC00094969-02, NCGC00094969-03, NCGC00094969-05, BS-52012, ST086181, SY257597, SBI-0051739.P002, DB-041366, NS00023783, SW220113-1, D07457, E77875, AB00052289_10, AB00052289_11, EN300-7478363, Q3617574, SR-01000642873-1, SR-01000642873-3, SR-01000642873-4, BRD-K47458712-001-17-3, BRD-K47458712-001-18-1, BRD-K47458712-001-19-9, BRD-K47458712-001-20-7, BRD-K47458712-001-21-5, Z56175413, 2-(4-methoxyphenyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
Theoretical properties:
molecular_formula: C16H12O3
molecular_weight: 252.26 g/mol
exact_mass: 252.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 19
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Pale yellow crystals from acetic acid or ethanol
color: Pale yellow crystals from acetic acid or ethanol
odor: ODORLESS OR HAS SLIGHTLY SWEET ODOR
melting_point: 155-156
Descriptions:
pubchem: Anisindione can cause developmental toxicity according to state or federal government labeling requirements.
chebi: A cyclic β-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position.
chembl: ANISINDIONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Anisindione (brand name Miradon) is a synthetic anticoagulant and an 1,3-indandione derivative. It prevents the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver by inhibiting the vitamin K–mediated gamma-carboxylation of precursor proteins.