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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40O9
Molecular Weight 532.6225
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALOTROPIN

SMILES

[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@]1(C[C@@]6([H])O[C@@]7(O)[C@@H](O)C[C@@H](C)O[C@@]7([H])O[C@]6([H])C2)C=O

InChI

InChIKey=OWPWFVVPBYFKBG-NYVHBPEFSA-N
InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H40O9
Molecular Weight 532.6225
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Calotropin is an pharmacologically active compound isolated from Asclepias curasavica L. Whereas calotropin possesses cytotoxicity against several cancer cells, the mechanisms of action remain unclear. Calotropin inhibits the Wnt signaling pathway by increasing CK1α protein levels.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Calotropin was administered through gavage 25 mg/kg body wt. each day for a period of 30 days to male gerbils and rabbits
Route of Administration: Oral
In Vitro Use Guide
The inhibitory effects of Calotropin on the viability of A549 and A549/ CDDP cells were determined by MTT assay. A549/CDDP cells were significantly inhibited by Calotropin in a concentration-dependent manner with an IC50 of 0.33 ± 0.06 uM at 48 h.
Substance Class Chemical
Record UNII
3XK21U1BZS
Record Status Validated (UNII)
Record Version