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(+) -Oxanthromicin

CAT: 0013-GTR19233033-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233033-02Size:1 mg
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Description
(+) -Oxanthromicin is the enantiomer of the rare natural product (-) -oxanthromicin. This small molecule inhibits K-Ras plasma membrane localization in MDCK cells with an IC50 of 62.5 μM, making it a useful research tool for studying Ras biology and oncogenic signaling pathways in vitro.
CAS Number
1616622-08-2
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
Cc1ccc2c (C (=O) c3c (C) c (C (O) =O) c (O) cc3[C@@]2 (C) OO[C@@]2 (C) c3ccc (C) c (O) c3C (=O) c3c (C) c (C (O) =O) c (O) cc23) c1O
Molecular Formula
C36H30O12
Molecular Weight
654.624
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Oxanthromicin

(+)-oxanthromicin is a member of anthracenes.

CAS Number1616622-08-2
PubChem CID146209
IUPAC Name(10R)-10-[(9R)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
Molecular FormulaC36H30O12
Molecular Weight654.6
XLogP7.2
Topological Polar Surface Area208
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count48
Formal Charge0
Complexity1220
SMILES
CC1=C(C2=C(C=C1)[C@](C3=CC(=C(C(=C3C2=O)C)C(=O)O)O)(C)OO[C@]4(C5=C(C(=C(C=C5)C)O)C(=O)C6=C(C(=C(C=C64)O)C(=O)O)C)C)O
InChI
InChI=1S/C36H30O12/c1-13-7-9-17-27(29(13)39)31(41)23-15(3)25(33(43)44)21(37)11-19(23)35(17,5)47-48-36(6)18-10-8-14(2)30(40)28(18)32(42)24-16(4)26(34(45)46)22(38)12-20(24)36/h7-12,37-40H,1-6H3,(H,43,44)(H,45,46)/t35-,36-/m0/s1
InChIKey
IEVJARSTOGQGJT-ZPGRZCPFSA-N
Chemical Structure
2D Structure
2D structure of (+)-Oxanthromicin
CAS: 1616622-08-2
CID: 146209
Formula: C36H30O12
MW: 654.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.6
XLogP37.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass654.17372639
Monoisotopic Mass654.17372639
Topological Polar Surface Area208 Ų
Heavy Atom Count48
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-120885-01(+) -Oxanthromicin
RDA16178-01Hemi-oxanthromicin A
RPC62210Spiro-oxanthromicin A
HY-137971(±) -Spiro-oxanthromicin A
H058-2.5MGHemi-Oxanthromicin

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