Compound: Taxusin
SMILES: O=C(O[C@@H]1C2=C([C@@H](OC(=O)C)C[C@H](C2(C)C)C[C@H]3[C@]([C@H]1OC(=O)C)(CC[C@@H](C3=C)OC(=O)C)C)C)C
InChIKey: SKJSIVQEPKBFTJ-HUWILPJBSA-N
Synonyms: Taxusin, 19605-80-2, CHEBI:63664, DTXSID90941377, taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate, (5alpha,9alpha,10beta,13alpha)-taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate, [(1R,3R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate, 6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, 3,8,11,12-TETRAACETATE, (3S,4AR,6R,8S,11R,12R,12AR)-, ((1R,3R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo(9.3.1.03,8)pentadec-11-enyl) acetate, RefChem:913637, DTXCID901369816, (+)-taxusin, VHS5792RP7, UNII-VHS5792RP7, 6,10-Methanobenzocyclodecene-3,8,11,12-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, tetraacetate, (4aS-(4aalpha,6alpha,9beta,12abeta))-, (+/-)-Taxusin, Taxusin, (+)-, Taxusin, (+/-)-, JP9WH8FUV6, MLS000728577, CHEMBL368741, orb1680055, SCHEMBL6017679, HMS2214M17, UAA60580, AKOS040763669, NCGC00247553-01, SMR000445558, TS-10160, NS00093871, C20152, Q15427894, 5alpha,9alpha,10beta,13alpha-Taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate, TAXA-4(20),11-DIENE-5.ALPHA.,9.ALPHA.,10.BETA.,13.ALPHA.-TETROL, TETRAACETATE, (3beta,5beta,8alpha,9beta,10alpha,13beta)-5,10,13-tris(acetyloxy)taxa-4(20),11-dien-9-yl acetate, (3S,4aR,6R,8S,11R,12R,12aR)-9,12a,13,13-Tetramethyl-4-methylidene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,8,11,12-tetrayl tetraacetate, 184180-91-4, 6,10-Methanobenzocyclodecene-3,8,11,12-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, tetraacetate, (3alpha,4aalpha,6beta,8alpha,11beta,12alpha,12abeta)-, 6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, TETRAACETATE, (3S,4AR,6R,8S,11R,12R,12AR)-, 6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, TETRAACETATE, (3S-(3.ALPHA.,4A.ALPHA.,6.BETA.,8.ALPHA.,11.BETA.,12.ALPHA.,12A.BETA.))-
Theoretical properties:
molecular_formula: C28H40O8
molecular_weight: 504.6 g/mol
exact_mass: 504.27231823 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 8
heavy_atom_count: 36
topological_polar_surface_area: 105 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Taxusin is a taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha, 9alpha, 10beta and 13alpha hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood. It has a role as a metabolite. It is a carbotricyclic compound, an acetate ester and a taxane diterpenoid.
chebi: A taxane diterpenoid that is taxa-4(20),11-diene in which the 5α, 9α, 10β and 13α hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood.
chembl: TAXUSIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Taxusin is a taxane isolate derived from Taxus wallichiana. Taxusin can be used to synthesize taxadiene -diol and -triol derivatives via deoxygenation.