Products for Research Use Only
RegisterLogin

Amoitone B

CAT: 0931-T85646-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T85646-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1257228-26-4
Target
NR4A
Related Pathways
Endocrinology/Hormones
Bioactivity
Amoitone B, a cystosporone B derivative, functions as an NR4A1 agonist and exhibits anticancer activity [1].
Smiles
O=C(OCCCCC)CC=1C=C(O)C=C(O)C1C(=O)CCCCCCCC
Molecular Formula
C22H34O5
Molecular Weight
378.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

n-Amyl 2-(3,5-dihydroxy-2-(1-nonanoyl)phenyl)acetate

a Nur77 protein agonist; structure in first source

CAS Number1257228-26-4
PubChem CID67448541
IUPAC Namepentyl 2-(3,5-dihydroxy-2-nonanoylphenyl)acetate
Molecular FormulaC22H34O5
Molecular Weight378.5
XLogP6.6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count27
Formal Charge0
Complexity423
SMILES
CCCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCCCCC
InChI
InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-19(24)22-17(14-18(23)16-20(22)25)15-21(26)27-13-11-6-4-2/h14,16,23,25H,3-13,15H2,1-2H3
InChIKey
FCKDHZVFIMRCNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-Amyl 2-(3,5-dihydroxy-2-(1-nonanoyl)phenyl)acetate
CAS: 1257228-26-4
CID: 67448541
Formula: C22H34O5
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass378.24062418
Monoisotopic Mass378.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T37756-01Phloxine B
T125095-01Monocillinol B
T124005-01Gingerglycolipid B
T34326-01Ridaifen-B
T124328-01Sibiriquinone B
T124366-01Psilostachyin B
T124518-01Senampeline B
T123912-01Rishirilide B
T124162-01Ginnalin B
TN4736Paniculidine B

Alternative Products

CatalogName
GTR19235672-01Amoitone B

Popular Products