Phomoxanthone A

CAT: 0931-TN11212-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN11212-01Size:10 mg

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CAS Number

359844-69-2

Target

Parasite

Related Pathways

Microbiology/Virology

Bioactivity

Phomoxanthone A is a flavonoid dimer isolated from Phomopsis. It exhibits antimalarial activity against the resistant strain of Plasmodium falciparum (K1, IC50 = 0.11 μg/mL) and displays antitubercular properties against Mycobacterium tuberculosis (H37Ra strain, MIC = 0.50 μg/mL) . Additionally, Phomoxanthone A shows cytotoxicity in KB, BC-1, and Vero cells with IC50 values of 0.99, 0.51, and 1.4 μg/mL, respectively.

Smiles

O=C1C2=C(O)C=CC(=C2OC3(C1=C(O)CC(C)C3OC(=O)C)COC(=O)C)C4=CC=C(O)C=5C(=O)C6=C(O)CC(C)C(OC(=O)C)C6(OC45)COC(=O)C

Molecular Formula

C38H38O16

Molecular Weight

750.7

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Phomoxanthone A

Phomoxanthone A is a member of the class of xanthones that is a dimer isolated from Phomopsis. It exhibits cytotoxic, antimalarial and antitubercular activities. It has a role as a metabolite, an antitubercular agent, an antineoplastic agent and an antimalarial. It is a member of phenols, an acetate ester, a member of xanthones and a biaryl.

CAS Number	359844-69-2
PubChem CID	10033008
IUPAC Name	[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate
Molecular Formula	C38H38O16
Molecular Weight	750.7
XLogP	2.7
Topological Polar Surface Area	239
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Heavy Atom Count	54
Formal Charge	0
Complexity	1540

SMILES

C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O[C@@]2([C@@H]1OC(=O)C)COC(=O)C)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)COC(=O)C)OC(=O)C)C)O)O)O

InChI

InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-44,47-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1

InChIKey

ZCLZNQUALWMDDN-ACMZUNAXSA-N

Chemical Structure

2D Structure

CAS: 359844-69-2

CID: 10033008

Formula: C38H38O16

MW: 750.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	750.7
XLogP3	2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Exact Mass	750.21598512
Monoisotopic Mass	750.21598512
Topological Polar Surface Area	239 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1540
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-364127	Phomoxanthone A
GTR19243210-01	12-O-deacetyl-phomoxanthone A

Phomoxanthone A

Chemical Information

Alternative Products

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