Products for Research Use Only
RegisterLogin

(-) -Mitorubrinol

CAT: 0013-GTR19279204-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19279204-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(-) -Mitorubrinol is found in the marine-derived strain Penicillium purpurogenum G59, which was mutated using diethyl sulfate (DES) . It exhibits inhibitory effects on cancer cell lines K562, HL-60, HeLa, and BGC-823.
CAS Number
3215-47-2
Smiles
O=C1C=2C (C=C (/C=C/CO) OC2) =CC (=O) [C@]1 (OC (=O) C3=C (C) C=C (O) C=C3O) C
Molecular Formula
C21H18O8
Molecular Weight
398.37
Notes
For research use only.

Chemical Information

Mitorubrinol

Mitorubrinol is an azaphilone.

CAS Number3215-47-2
PubChem CID11990358
IUPAC Name[(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Molecular FormulaC21H18O8
Molecular Weight398.4
XLogP2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity849
SMILES
CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/CO)C)O)O
InChI
InChI=1S/C21H18O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-10,22-24H,5H2,1-2H3/b4-3+/t21-/m1/s1
InChIKey
NXJNWGPNUAVXHT-YEFOHOTDSA-N
Chemical Structure
2D Structure
2D structure of Mitorubrinol
CAS: 3215-47-2
CID: 11990358
Formula: C21H18O8
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass398.10016753
Monoisotopic Mass398.10016753
Topological Polar Surface Area130 Ų
Heavy Atom Count29
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19279269-01Mitorubrin
GTR19279210-01(-) -Mitorubrinic acid

Alternative Products

CatalogName
HY-N16393(-) -Mitorubrinol
FM07830Mitorubrinol

Popular Products