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Vandrikidine

CAT: 0804-HY-N1104Size: InquireDry Ice: NoHazardous: No
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CAS Number
50656-92-3
UNSPSC Description
Vandrikidine (Vandrikidin) is a Monoterpenoids product that can be isolated from the fruits of Gardenia jasminoides Ellis[1].
Target Antigen
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/vandrikidine.html
Smiles
C[C@H]([C@@]12[C@@]3([H])[C@]4(CCN3CC=C2)C(NC5=CC(OC)=CC=C54)=C(C1)C(OC)=O)O
Molecular Weight
382.45
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Vandrikidine

methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate has been reported in Melodinus suaveolens, Melodinus cochinchinensis, and Catharanthus roseus with data available.

CAS Number50656-92-3
PubChem CID70691524
IUPAC Namemethyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Molecular FormulaC22H26N2O4
Molecular Weight382.5
XLogP2.2
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity749
SMILES
C[C@H]([C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC)O
InChI
InChI=1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20+,21+,22+/m1/s1
InChIKey
ASAFZNAXYPDIJR-MCLJMYSDSA-N
Chemical Structure
2D Structure
2D structure of Vandrikidine
CAS: 50656-92-3
CID: 70691524
Formula: C22H26N2O4
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass382.18925731
Monoisotopic Mass382.18925731
Topological Polar Surface Area71 Ų
Heavy Atom Count28
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
582707Vandrikidine

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