Clitorin

CAT: 0931-TN1513-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1513-01Size:1 mg

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

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CAS Number

55804-74-5

Target

Antifection, Fatty Acid Synthase, HMG-CoA Reductase, AMPK, EGFR, Acetyl-CoA Carboxylase, Cytochromes P450, PPAR, PKC

Related Pathways

PI3K/Akt/mTOR signaling, Tyrosine Kinase/Adaptors, DNA Damage/DNA Repair, Angiogenesis, Microbiology/Virology, Chromatin/Epigenetic, Cytoskeletal Signaling, Metabolism, JAK/STAT signaling

Purity

0.9983

Bioactivity

Clitorin has free radical scavenging property. It shows significant interactions with CD38, it may have anti-hyperglycemic potential.

Smiles

[H][C@@]1(O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

Molecular Formula

C33H40O19

Molecular Weight

740.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Clitorin

clitorin has been reported in Saxifraga cuneifolia, Diospyros rhombifolia, and other organisms with data available.

CAS Number	55804-74-5
PubChem CID	11592917
IUPAC Name	3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Formula	C33H40O19
Molecular Weight	740.7
XLogP	-2
Topological Polar Surface Area	304
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	8
Heavy Atom Count	52
Formal Charge	0
Complexity	1260

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O

InChI

InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1

InChIKey

WRXVPTMENPZUIZ-QEZWUOJGSA-N

Chemical Structure

2D Structure

CAS: 55804-74-5

CID: 11592917

Formula: C33H40O19

MW: 740.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	740.7
XLogP3	-2
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	8
Exact Mass	740.21637904
Monoisotopic Mass	740.21637904
Topological Polar Surface Area	304 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1260
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
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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TBZ2441	Clitorin

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