Plantainoside D

CAT: 0931-T5796-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T5796-07Size:100 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 Number	147331-98-4
PubChem CID	9986606
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 Formula	C29H36O16
Molecular Weight	640.6
XLogP	-1
Topological Polar Surface Area	266
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	12
Heavy Atom Count	45
Formal Charge	0
Complexity	953

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

CAS: 147331-98-4

CID: 9986606

Formula: C29H36O16

MW: 640.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	640.6
XLogP3	-1
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	12
Exact Mass	640.20033506
Monoisotopic Mass	640.20033506
Topological Polar Surface Area	266 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	953
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
AB1543	Plantainoside D
MBS5791448	Plantainoside C
GTR19277932-01	Plantainoside E
TBZ1828	Plantainoside B
371827	Plantainoside D discontinued

Plantainoside D

Chemical Information

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