Momordicine I

CAT: 0931-TN1940Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN1940Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

91590-76-0

Target

Others, PI3K, Nrf2, Akt, NF-κB, STAT, c-Met/HGFR, RAAS, NO Synthase

Related Pathways

Tyrosine Kinase/Adaptors, Cytoskeletal Signaling, NF-κB, Stem Cells, Others, Immunology/Inflammation, PI3K/Akt/mTOR signaling, JAK/STAT signaling, Endocrinology/Hormones

Bioactivity

Momordicine I is a natural cucurbitane-type triterpene exhibiting antihypertensive, anti-inflammatory, anti-hypertrophic, anti-fibrotic, and antioxidant properties. Its mechanisms of action include regulating insulin signalling, inducing cancer cell apoptosis, and modulating NO, ACE, PI3K/Akt, NF-κB, Nrf2, c-Met/STAT3 pathways, and may be applied in cardiovascular diseases and inflammation.

Smiles

C(=O)[C@]12[C@]([C@@]3(C)[C@](C)(CC1)[C@@]([C@@H](C[C@H](C=C(C)C)O)C)(CC3)[H])([C@@H](O)C=C4[C@]2(CC[C@H](O)C4(C)C)[H])[H]

Molecular Formula

C30H48O4

Molecular Weight

472.71

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Momordicin I

momordicine I has been reported in Momordica charantia with data available.

CAS Number	91590-76-0
PubChem CID	124506214
IUPAC Name	(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-17-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Molecular Formula	C30H48O4
Molecular Weight	472.7
XLogP	5.3
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	869

SMILES

C[C@H](C[C@H](C=C(C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)O)C=O)C)C

InChI

InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3/t19-,20+,21-,22-,24+,25+,26+,28-,29+,30-/m1/s1

InChIKey

QBXNBPFTVLJTMK-MKVXWLNSSA-N

Chemical Structure

2D Structure

CAS: 91590-76-0

CID: 124506214

Formula: C30H48O4

MW: 472.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	472.7
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	472.35526001
Monoisotopic Mass	472.35526001
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	869
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Momordicine I

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