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3α-Dihydrocadambine

CAT: 0804-HY-N4209-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N4209-01Size:1 mg
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Description
3α-Dihydrocadambine is a natural product isolated from the heartwoods of Anthocephalus cadamba.3α-Dihydrocadambine exhibits dose-dependent hypotensive and anti-hypertensive effects in anesthetized normotensive rats and in conscious spontaneously hypertensive rats[1][2].
CAS Number
54483-84-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/3α-dihydrocadambine.html
Solubility
10 mM in DMSO
Smiles
O[C@@H]1CN2[C@](C[C@@](C(C(OC)=O)=CO3)([H])[C@]1([H])[C@@H]3O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O)CO)([H])C5=C(CC2)C6=CC=CC=C6N5
Molecular Formula
C27H34N2O10
Molecular Weight
546.57
References & Citations
[1]Takayama H, et al. Gluco-indole alkaloids from Nauclea cadamba in Thailand and transformation of 3 alpha-dihydrocadambine into the indolopyridine alkaloid, 16-carbomethoxynaufoline. Chem Pharm Bull (Tokyo) . 2003;51 (2) :232-233.|[2]K Aisaka, et al. Hypotensive action of 3 alpha-dihydrocadambine, an indole alkaloid glycoside of Uncaria hooks. Planta Med. 1985 Oct;51 (5) :424-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3alpha-Dihydrocadambine

3-Dihydrocadambine has been reported in Uncaria sinensis, Uncaria rhynchophylla, and Neolamarckia cadamba with data available.

CAS Number54483-84-0
PubChem CID162138
IUPAC Namemethyl (1S,15S,16S,17S,21S)-15-hydroxy-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-3,13-diazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,19-pentaene-20-carboxylate
Molecular FormulaC27H34N2O10
Molecular Weight546.6
XLogP-0.4
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity936
SMILES
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]3C4=C(CCN3C[C@H]2O)C5=CC=CC=C5N4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-30)38-27)20-14(15)8-17-21-13(6-7-29(17)9-18(20)31)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17+,18-,19-,20+,22-,23+,24-,26+,27+/m1/s1
InChIKey
HNZGKRAKJFZQAY-SBAWYOAKSA-N
Chemical Structure
2D Structure
2D structure of 3alpha-Dihydrocadambine
CAS: 54483-84-0
CID: 162138
Formula: C27H34N2O10
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass546.22134529
Monoisotopic Mass546.22134529
Topological Polar Surface Area174 Ų
Heavy Atom Count39
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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