Compound: HEMATEIN
SMILES: O=C1C(O)=CC2=C3c4c(c(O)c(O)cc4)OCC3(CC2=C1)O
InChIKey: HLUCICHZHWJHLL-UHFFFAOYSA-N
Synonyms: HEMATEIN, 475-25-2, Haematein, Hematine, 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one, NSC7333, 3,4,6a,10-tetrahydroxy-6a,7-dihydroindeno[2,1-c]chromen-9(6H)-one, 88Q1SYD10B, Hydroxybrasilein, Hematein, for microscopy (Hist.), NSC-7333, Benz[b]indeno[1,2-d]pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-, MFCD00036187, 4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one, 6a,7-Dihydro-3,4,6a,10-tetrahydroxybenz(b)indeno(1,2-d)pyran-9(6H)-one, Benz(b)indeno(1,2-d)pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-, Hematein (Technical Grade), 3,4,10,6a-tetrahydroxy-7,6a-dihydroindeno[2,1-c]chroman-9-one, 3,4,6a,10-tetrahydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9(6H)-one, NSC 7333, EINECS 207-492-8, BRN 0093039, UNII-88Q1SYD10B, Haematine, AI3-63013, Hematein, stain, CTK8B3911, Spectrum_001226, SpecPlus_000484, HEMATEIN [MI], Spectrum2_000612, Spectrum3_001540, Spectrum4_001698, Spectrum5_000376, 3,4,6a,10-Tetrahydroxy-6a,7-dihydrobenz(b)indeno(1,2-d)pyran-9(6H)-one, US8987474, Hematin, (+/-)-HEMATEIN, BSPBio_002960, KBioGR_001996, KBioSS_001706, 4-18-00-03343 (Beilstein Handbook Reference), DivK1c_006580, SCHEMBL169328, SPECTRUM1502253, SPBio_000544, orb1707221, CHEMBL1360563, CHEMBL1730100, HEMATEIN, (+/-)-, SCHEMBL23043849, SCHEMBL29378818, SCHEMBL29735713, CHEBI:90116, KBio1_001524, KBio2_001706, KBio2_004274, KBio2_006842, KBio3_002460, DTXSID40874767, HNNSUZPWERIYIL-UHFFFAOYSA-N, BDBM152157, CCG-39273, SBB006464, STL372875, AKOS024282604, FH59506, SDCCGMLS-0066710.P001, SMP1_000180, NCGC00017347-02, NCGC00017347-03, NCGC00095664-01, NCGC00095664-02, MS-24323, ST057211, DB-051457, HY-119751, CS-0077926, NS00042443, G12090, SR-05000002557, Q8214058, SR-05000002557-1, Benz[b]indeno[1, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-
Theoretical properties:
molecular_formula: C16H12O6
molecular_weight: 300.26 g/mol
exact_mass: 300.06338810 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Hematein is an organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. It has a role as a histological dye. It is a tertiary alcohol, an enol, a member of phenols, an organic heterotetracyclic compound and a member of quinomethanes.
chebi: An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[<em>b</em>]indeno[1,2-<em>d</em>]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10.
chembl: HEMATEIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hematein (US spelling) or haematein is an oxidized derivative of haematoxylin, used in staining. Haematein should not be confused with haematin, which is a brown to black iron-containing pigment formed by decomposition of haemoglobin. In the Colour Index (but nowhere else), haematein is called haematine.