8-Epideoxyloganic acid

CAT: 0804-HY-N2772-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N2772-01Size:1 mg

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Description

8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].

CAS Number

88668-99-9

Product Name Alternative

7-Deoxy-8-epiloganic acid

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/8-epideoxyloganic-acid.html

Purity

99.95

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

OC(C1=CO[C@H]([C@@]2([H])[C@]1([H])CC[C@H]2C)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O

Molecular Formula

C16H24O9

Molecular Weight

360.36

References & Citations

[1]Nakamura M, et, al. Antinociceptive substances from Incarvillea delavayi. Phytochemistry. 2000 Jan;53 (2) :253-6.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

8-Epideoxyloganic acid

8-Epideoxyloganic acid is a terpene glycoside.

CAS Number	88668-99-9
PubChem CID	443332
IUPAC Name	(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Formula	C16H24O9
Molecular Weight	360.36
XLogP	-0.4
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	536

SMILES

C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

InChIKey

DSXFHNSGLYXPNG-PKUPRILXSA-N

Chemical Structure

2D Structure

CAS: 88668-99-9

CID: 443332

Formula: C16H24O9

MW: 360.36

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	360.36
XLogP3	-0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	360.14203234
Monoisotopic Mass	360.14203234
Topological Polar Surface Area	146 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	536
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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