Chemical Formula: C32H48O9
Chemical Formula C32H48O9
Found 45 metabolite its formula value is C32H48O9
Oleandrin
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Oleandrin is a steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3. It is a cardenolide glycoside, a 14beta-hydroxy steroid, a steroid ester and a steroid saponin. It is functionally related to an oleandrigenin. Oleandrin has been used in trials studying the treatment of Lung Cancer and Chemotherapeutic Agent Toxicity. Oleandrin is a natural product found in Daphnis nerii, Plumeria, and other organisms with data available. Oleandrin is a lipid soluble cardiac glycoside with potential antineoplastic activity. Upon administration, oleandrin specifically binds to and inhibits the alpha3 subunit of the Na/K-ATPase pump in human cancer cells. This may inhibit the phosphorylation of Akt, upregulate MAPK, inhibit NF-kb activation and inhibit FGF-2 export and may downregulate mTOR thereby inhibiting p70S6K and S6 protein expression. All of this may lead to an induction of apoptosis. As cancer cells with relatively higher expression of the alpha3 subunit and with limited expression of the alpha1 subunit are more sensitive to oleandrin, one may predict the tumor response to treatment with lipid-soluble cardiac glycosides such as oleandrin based on the tumors Na/K-ATPase pump protein subunit expression. Overexpression of the alpha3 subunit in tumor cells correlates with tumor proliferation. See also: Nerium oleander leaf (part of). A steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2262 Oleandrin (PBI-05204) inhibits the Na+, K+-ATPase activity with an IC50 of 620 nM. Oleandrin (PBI-05204) inhibits the Na+, K+-ATPase activity with an IC50 of 620 nM.
Cerberin
Cerberin; 2-Acetylneriifolin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides A cardenolide glycoside that is the 2-acetyl derivative of neriifolin.
Foliandrin
11-Hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetic acid
rel-18(S),19(R)-diacetoxy-18,19-epoxy-6(R)-hydroxy-2(S)-(3xi-hydroxyoctanoyloxy)-5(R),8(S),9(S),10(R)-cleroda-3,13(16),14-triene
rel-18(S),19(R)-diacetoxy-18,19-epoxy-6(R)-hydroxy-2(S)-(3xi-hydroxyoctanoyloxy)-5(R),8(S),9(S),10(R)-cleroda-3,13(16),14-triene
2alpha-hydroxyzuelanin-6beta-n-(3-hydroxy)octanoate
2alpha-hydroxyzuelanin-6beta-n-(3-hydroxy)octanoate
cimicifugoside H-4|foetidinol-3-O-beta-D-xylopyranoside|foetidinol-3-O-beta-xyloside|neocimiside
cimicifugoside H-4|foetidinol-3-O-beta-D-xylopyranoside|foetidinol-3-O-beta-xyloside|neocimiside
C32H48O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirosta-5,25(27)-dien-1-yl
NCGC00380235-01_C32H48O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirosta-5,25(27)-dien-1-yl
C32H48O9_Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,16beta)
NCGC00385369-01_C32H48O9_Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,16beta)-
3beta,15alpha,16alpha,24alpha-tetrahydroxy25,26,27-trinor-16,24-cyclo-cycloart-7-en-23-one-3-O-beta-D-xylopyranoside
3beta,15alpha,16alpha,24alpha-tetrahydroxy25,26,27-trinor-16,24-cyclo-9beta,19-cyclo-lanost-7-en-23-one-3-O-beta-D-xylopyranoside
2,3-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
2,3-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
3-ethyl-2-methoxy-5-methyl-6-[(1E,5E,7E,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]pyran-4-one
3-ethyl-2-methoxy-5-methyl-6-[(1E,5E,7E,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]pyran-4-one
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl (3s)-3-hydroxyoctanoate
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl (3s)-3-hydroxyoctanoate
18-hydroxy-15-(5-hydroxy-4-oxopentan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one
18-hydroxy-15-(5-hydroxy-4-oxopentan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one
8-(acetyloxy)-3,21-dihydroxy-4',5,5',5',19-pentamethyl-17,20-dioxaspiro[hexacyclo[14.5.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosane-18,2'-oxolan]-7-yl acetate
8-(acetyloxy)-3,21-dihydroxy-4',5,5',5',19-pentamethyl-17,20-dioxaspiro[hexacyclo[14.5.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosane-18,2'-oxolan]-7-yl acetate
1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 3-hydroxyoctanoate
1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 3-hydroxyoctanoate
beauwalloside
NA
{"Ingredient_id": "HBIN017673","Ingredient_name": "beauwalloside","Alias": "NA","Ingredient_formula": "C32H48O9","Ingredient_Smile": "CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O","Ingredient_weight": "576.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2190","TCMSP_id": "NA","TCM_ID_id": "6409;21740","PubChem_id": "56841099","DrugBank_id": "NA"}
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
6-{[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl acetate
6-{[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl acetate
(2s,3s,4r,5s,6s)-2-{[(1s,3as,3br,5as,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(2s,3s,4r,5s,6s)-2-{[(1s,3as,3br,5as,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
6-hydroxy-2-methyl-5-oxo-6-{2,4,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-yl acetate
6-hydroxy-2-methyl-5-oxo-6-{2,4,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-yl acetate
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(2s,3s,4s,5s,6s)-2-{[(1r,3as,3bs,5ar,7s,9as,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(2s,3s,4s,5s,6s)-2-{[(1r,3as,3bs,5ar,7s,9as,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
3-ethyl-2-methoxy-5-methyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
3-ethyl-2-methoxy-5-methyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
(2r,3r,4s,5r,6r)-2-{[(1r,3as,3bs,5ar,7s,9as,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(2r,3r,4s,5r,6r)-2-{[(1r,3as,3bs,5ar,7s,9as,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(6r)-6-[(1r,2r,3as,3bs,4s,8s,9ar,9bs,11ar)-2,4,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
(6r)-6-[(1r,2r,3as,3bs,4s,8s,9ar,9bs,11ar)-2,4,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1s,3r,5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (3s)-3-hydroxyoctanoate
(1s,3r,5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (3s)-3-hydroxyoctanoate
(1r,3s,4s,4's,5s,7r,8s,10s,13s,14s,16s,18s,19r,21r,22r)-8-(acetyloxy)-3,21-dihydroxy-4',5,5',5',19-pentamethyl-17,20-dioxaspiro[hexacyclo[14.5.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosane-18,2'-oxolan]-7-yl acetate
(1r,3s,4s,4's,5s,7r,8s,10s,13s,14s,16s,18s,19r,21r,22r)-8-(acetyloxy)-3,21-dihydroxy-4',5,5',5',19-pentamethyl-17,20-dioxaspiro[hexacyclo[14.5.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosane-18,2'-oxolan]-7-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
3-ethyl-2-methoxy-5-methyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
3-ethyl-2-methoxy-5-methyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-hydroxyoctanoate
1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 3-hydroxyoctanoate
(2r,3r,4s,5r,6r)-2-{[(1r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
(2r,3r,4s,5r,6r)-2-{[(1r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
2,9,10-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
2,9,10-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one