Chemical Formula: C28H36O4
Chemical Formula C28H36O4
Found 76 metabolite its formula value is C28H36O4
Azadirone
Azadirone
A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by an oxo group at position 3, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antiplasmodial and antineoplastic activities.
2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione|6-oxotingenol
2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione|6-oxotingenol
(22R)-4beta-hydroxy-1-oxo-witha-2,5,16,24-tetraenolide|(4S,20S,22R)-4-hydroxy-1-oxo-witha-2,5,16,24-tetraenolide
(22R)-4beta-hydroxy-1-oxo-witha-2,5,16,24-tetraenolide|(4S,20S,22R)-4-hydroxy-1-oxo-witha-2,5,16,24-tetraenolide
3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(20S,22S,23R,24S)-14beta,22:22,25-diepoxy-23-hydroxyergosta-4,6,8,11-tetraen-3-one|blazeispirol U
(20S,22S,23R,24S)-14beta,22:22,25-diepoxy-23-hydroxyergosta-4,6,8,11-tetraen-3-one|blazeispirol U
Paraminabeolide A
Paraminabeolide A
A withanolide that is 22,26-epoxyergosta-1,4,24-triene-18-al substituted by oxo groups at positions 3 and 26. Isolated from a Formosan soft coral, Paraminabea acronocephala, it exhibits cytotoxic activity.
(1s,3br,4r,5ar,9ar,9br,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1s,3br,4r,5ar,9ar,9br,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
2,3-dimethoxy-5-methyl-6-[(2e,6z,9e)-3,7,9-trimethyl-11-phenylundeca-2,6,9-trien-1-yl]pyran-4-one
2,3-dimethoxy-5-methyl-6-[(2e,6z,9e)-3,7,9-trimethyl-11-phenylundeca-2,6,9-trien-1-yl]pyran-4-one
(1'r,2s,3r,4s,10's,14'r,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(1'r,2s,3r,4s,10's,14'r,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(1r,5r,8r)-8-[(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1r,5r,8r)-8-[(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1r,5s,7r)-7-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1r,5s,7r)-7-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1r,3bs,4r,5ar,9as,9bs,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,3bs,4r,5ar,9as,9bs,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,2s,5s,6r,10r,11s,12r,15r,19s)-11-ethoxy-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-8,16-dien-18-one
(1r,2s,5s,6r,10r,11s,12r,15r,19s)-11-ethoxy-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-8,16-dien-18-one
(6bs,7s,8as,11r,12ar,12bs,14as)-3,7-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(6bs,7s,8as,11r,12ar,12bs,14as)-3,7-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(8ar,9s,10r,11s,12as,12bs,14as)-3,9,10-trihydroxy-4,7,8a,11,12b,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydropicen-2-one
(8ar,9s,10r,11s,12as,12bs,14as)-3,9,10-trihydroxy-4,7,8a,11,12b,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydropicen-2-one
6-oxotingenol
NA
{"Ingredient_id": "HBIN012741","Ingredient_name": "6-oxotingenol","Alias": "NA","Ingredient_formula": "C28H36O4","Ingredient_Smile": "CC1CC2C(CCC3(C2(CCC4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C)C)C)C)(CC1=O)C","Ingredient_weight": "436.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10410773","DrugBank_id": "NA"}
(1'r,2s,3r,4s,10's,14's,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(1'r,2s,3r,4s,10's,14's,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(1r,5s,8r)-8-[(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1r,5s,8r)-8-[(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
7-{9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
7-{9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(6bs,8ar,9s,11r,12as,12bs,14ar)-3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(6bs,8ar,9s,11r,12as,12bs,14ar)-3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(1'r,2s,3r,4s,14's,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(1'r,2s,3r,4s,14's,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(6ar,6br,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
(6ar,6br,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
methyl (1r,4s,5r,9s,10s,13r,15s)-15-(benzoyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl (1r,4s,5r,9s,10s,13r,15s)-15-(benzoyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(6as,6br,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
(6as,6br,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
(3ar,7r,7as)-6-[(3ar,9r,9as)-9-hydroxy-2,2,9-trimethyl-4-oxo-1h,3h,3ah,9ah-cyclopenta[b]naphthalen-6-yl]-7-hydroxy-2,2,7-trimethyl-1,3,3a,7a-tetrahydroinden-4-one
(3ar,7r,7as)-6-[(3ar,9r,9as)-9-hydroxy-2,2,9-trimethyl-4-oxo-1h,3h,3ah,9ah-cyclopenta[b]naphthalen-6-yl]-7-hydroxy-2,2,7-trimethyl-1,3,3a,7a-tetrahydroinden-4-one
methyl 15-(benzoyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl 15-(benzoyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(1r,2r,10r,11s,14r,15r,16s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadeca-4,6-dien-9-one
(1r,2r,10r,11s,14r,15r,16s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadeca-4,6-dien-9-one
(6bs,8as,11s,12ar,12bs,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
(6bs,8as,11s,12ar,12bs,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
(14z,17z)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),14,17,24,27-octaene-5,26,27-triol
(14z,17z)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),14,17,24,27-octaene-5,26,27-triol
(6bs,8as,11r,12ar,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
(6bs,8as,11r,12ar,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
3,7-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
3,7-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(13z,16z)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
(13z,16z)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
(13z,16e)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
(13z,16e)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
3,9,10-trihydroxy-4,7,8a,11,12b,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydropicen-2-one
3,9,10-trihydroxy-4,7,8a,11,12b,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydropicen-2-one
8-{9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
8-{9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1s,5s)-8-[(9ar,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1s,5s)-8-[(9ar,11as)-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one
(13e,16e)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
(13e,16e)-2-oxatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),13,16,24,27-octaene-5,26,27-triol
(2r,4as,6as,12br,14as,14br)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
(2r,4as,6as,12br,14as,14br)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
(4e,6r)-6-[(1r,9ar,9br,11ar)-9a,11a-dimethyl-4,6-dioxo-1h,2h,3h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylhept-4-enoic acid
(4e,6r)-6-[(1r,9ar,9br,11ar)-9a,11a-dimethyl-4,6-dioxo-1h,2h,3h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylhept-4-enoic acid
3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydro-6ah-picene-2,6,10-trione
(6r)-6-[(1s)-1-[(3as,3bs,6s,9ar,9bs,11as)-6-hydroxy-9a,11a-dimethyl-9-oxo-3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(6r)-6-[(1s)-1-[(3as,3bs,6s,9ar,9bs,11as)-6-hydroxy-9a,11a-dimethyl-9-oxo-3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(1r,2r,10r,11s,14r,15s,16s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadeca-4,7-dien-9-one
(1r,2r,10r,11s,14r,15s,16s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadeca-4,7-dien-9-one
1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(6bs,8as,11r,12ar,12bs,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
(6bs,8as,11r,12ar,12bs,14ar)-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
6-(1-{6-hydroxy-9a,11a-dimethyl-9-oxo-3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
6-(1-{6-hydroxy-9a,11a-dimethyl-9-oxo-3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7h-picene-2,10-dione
(1r,3br,4r,5as,9ar,9br,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,3br,4r,5as,9ar,9br,11as)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate