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Compound Summary

General Compound Information

Cucurbitacin I

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Description

Cucurbitacin I is a cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22. It has a role as a plant metabolite and an antineoplastic agent. It is a cucurbitacin and a tertiary alpha-hydroxy ketone.

Synonyms

Cucurbitacin I; 2222-07-3; Elatericin B; Cucurbitacine (I); JSI-124;

1,2-Dehydroelatericin A;NSC-521777;CHEBI:3947;SHQ47990PH;NSC-112167;(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;NSC521777;19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-;MLS002702902;19-nor-9.beta.,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-;JSI 124;DTXSID501015546;Elatericin B;JSI-124;NSC-521777;19-Norlanosta-1,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)- (VA;EINECS 218-736-8;NSC 112167;NSC 521777;CUCURBITACCINE (I);UNII-SHQ47990PH;NSC-521777Elatericin B;Cucurbitacin I (Elatericin B);CHEMBL387737;SCHEMBL2523066;SCHEMBL15914446;HY-N1405;ZINC4097803;LMST01010110;MFCD09971044;NSC112167;AKOS024456675;CS-5431;NCGC00388208-02;19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-;19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-;19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (VAN);2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(E)-triene-3,11,22-trione;28580-39-4;XT170627;Elatericin B; JSI-124; NSC-521777;C08800;F85354;Q27106265;(4R,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione;(8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;(9?,10?,16?,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione;2,16,20,25-Terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis umbellata (candytuft);

FlavorDB ID

4233

PUBCHEM ID

5281321

Molecular Weight

514.6

Molecular Formula

C30H42O7

Openeye Can Smiles

CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C

IUPAC Inchikey

NISPVUDLMHQFRQ-MKIKIEMVSA-N

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

Quality information of this compound is not available!

Compound Toxicity

Toxicity and Food Additive Safety of this compound is not available!

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R10	details	Activated	150.00
TAS2R46	details	Activated	150.00

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!