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Plantainoside D

CAT: 0931-T5796-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5796-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147331-98-4
Target
Calcium Channel, Angiotensin-converting Enzyme (ACE), IκB/IKK, Apoptosis, NOD-like Receptor (NLR), NF-κB, RAAS, PKC, ROS, Sirtuin
Related Pathways
DNA Damage/DNA Repair, Apoptosis, Metabolism, Chromatin/Epigenetic, NF-κB, Immunology/Inflammation, Membrane transporter/Ion channel, Cytoskeletal Signaling, Endocrinology/Hormones
Purity
0.9958
Bioactivity
Plantainoside D (Isoplantamajoside) shows potent antioxidative effects as those of ascorbic acid, it shows angiotensin-converting enzyme (ACE) inhibitory inhibitory activity in vitro with the IC (50) value of 2.17 mM, it also shows inhibitory activity against PKCalpha with the IC50 value14.8microM.
Smiles
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C29H36O16
Molecular Weight
640.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Plantainoside D

Plantainoside D has been reported in Plantago depressa, Plantago asiatica, and other organisms with data available.

CAS Number147331-98-4
PubChem CID9986606
IUPAC Name[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H36O16
Molecular Weight640.6
XLogP-1
Topological Polar Surface Area266
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity953
SMILES
C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(43-19)45-27-23(37)20(12-42-21(35)6-3-13-1-4-15(31)17(33)9-13)44-28(26(27)40)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23-,24+,25-,26-,27+,28-,29+/m1/s1
InChIKey
CBZYUWGJNYOKHT-ZKDZFUIGSA-N
Chemical Structure
2D Structure
2D structure of Plantainoside D
CAS: 147331-98-4
CID: 9986606
Formula: C29H36O16
MW: 640.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.6
XLogP3-1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass640.20033506
Monoisotopic Mass640.20033506
Topological Polar Surface Area266 Ų
Heavy Atom Count45
Formal Charge0
Complexity953
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AB1543Plantainoside D
MBS5791448Plantainoside C
GTR19277932-01Plantainoside E
TBZ1828Plantainoside B
371827Plantainoside D discontinued

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