Cucurbitacin I
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Cucurbitacin I
structure -
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CAS No:
2222-07-3
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Formula:
C30H42O7
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Chemical Name:
Cucurbitacin I
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Synonyms:
19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-,(9β,10α,16α,23E)-;19-Nor-9β,10α-lanosta-1,5,23-triene-3,11,22-trione,2,16α,20,25-tetrahydroxy-9-methyl-;Elatericin B;(9β,10α,16α,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione;Cucurbitacin I;NSC 521777;JSI 124;204376-97-6
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CAS No:
Description
Cucurbitacin I is a natural selective inhibitor of JAK2/STAT3, with potent anti-cancer activity.
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.
Characteristics
132.13000
2.06
1.3±0.1 g/cm3
148-150°C
716.9±60.0 °C at 760 mmHg
401.3±29.4 °C
1.594
−20°C
LD50 oral in mouse: 5mg/kg
Safety Information
UN28116.1/PG1
3
25-28
1-22-45-36/37-28
RC6200000
Xi,T+
|Danger|H300 (33.33%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Cucurbitacin I Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Computed Properties
Molecular Weight:514.6
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:514.29305367
Monoisotopic Mass:514.29305367
Topological Polar Surface Area:132
Heavy Atom Count:37
Complexity:1160
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
No specific pharmacological information is provided
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