Products for Research Use Only
RegisterLogin

4-Aaqb

CAT: 0931-T71296-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T71296-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1187652-02-3
Target
Others
Related Pathways
Others
Bioactivity
4-Aaqb, also known as OB-318, is a natural inhibitor of the autophagy pathway, enhancing immune function, suppressing MAPK and NFκB, showing anti-inflammatory, hypoglycemic, vasorelaxative, and antiproliferative activities.
Smiles
O(C(C)=O)[C@@H]1[C@H](C/C=C(/CC/C=C(/C[C@H]2C[C@H](C)C(=O)O2)\C)\C)[C@@H](C)C(=O)C(OC)=C1OC
Molecular Formula
C26H38O7
Molecular Weight
462.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S,5R)-5-((2E,6E)-8-((1R,2R,6R)-2-(Acetyloxy)-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl)-2,6-dimethyl-2,6-octadien-1-yl)dihydro-3-methyl-2(3H)-furanone

an antineoplastic agent isolated from Antrodia connamomea; structure in first source

CAS Number1187652-02-3
PubChem CID112500518
IUPAC Name[(1R,5R,6R)-6-[(2E,6E)-3,7-dimethyl-8-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]octa-2,6-dienyl]-2,3-dimethoxy-5-methyl-4-oxocyclohex-2-en-1-yl] acetate
Molecular FormulaC26H38O7
Molecular Weight462.6
XLogP5
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity836
SMILES
C[C@H]1C[C@@H](OC1=O)C/C(=C/CC/C(=C/C[C@@H]2[C@H](C(=O)C(=C([C@@H]2OC(=O)C)OC)OC)C)/C)/C
InChI
InChI=1S/C26H38O7/c1-15(9-8-10-16(2)13-20-14-17(3)26(29)33-20)11-12-21-18(4)22(28)24(30-6)25(31-7)23(21)32-19(5)27/h10-11,17-18,20-21,23H,8-9,12-14H2,1-7H3/b15-11+,16-10+/t17-,18+,20-,21+,23+/m0/s1
InChIKey
XXAVUEUAHANHQA-ZXOJLNOSSA-N
Chemical Structure
2D Structure
2D structure of (3S,5R)-5-((2E,6E)-8-((1R,2R,6R)-2-(Acetyloxy)-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl)-2,6-dimethyl-2,6-octadien-1-yl)dihydro-3-methyl-2(3H)-furanone
CAS: 1187652-02-3
CID: 112500518
Formula: C26H38O7
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass462.26175355
Monoisotopic Mass462.26175355
Topological Polar Surface Area88.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN11346-014,4'-Diapo-ω, ω-carotene-4,4'-dial
TYD-02042-014- (4-Bromophenyl) -4-hydroxypiperidine
TN30084',4''-Dihydroxyanigorootin
T7985-014,4'-Dimethoxychalcone
TYD-00383-014,4'-Dihydroxybenzophenone
T5943-014,4'-DIMETHOXYBENZIL
TN9540-014,4'-Dimethyldiphenyl
TYD-006474,4'-Dichlorobenzophenone
T13507-014,4'-Iminodiphenol
TYD-03491-014,4'-Trimethylenedipyridine

Alternative Products

CatalogName
GTR19208086-014-Aaqb
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1001790-014,4',4'',4'''-Silanetetrayltetrabenzoic acid

Popular Products