4'-O-Methylthujaplicatin

CAT: 0804-HY-N16644Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-N16644Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

4'-O-Methylthujaplicatin is a thujaplicatin derivative. 4'-O-Methylthujaplicatin is related to the Yatein biosynthetic pathway[1].

CAS Number

1613381-17-1

UNSPSC

12352005

Target

Drug Derivative

Related Pathways

Others

Field of Research

Cancer

Smiles

COC(C=C1C[C@@H](COC2=O)[C@H]2CC3=CC(OC)=C(C(O)=C3)O)=C(C=C1)OC

Molecular Formula

C21H24O7

Molecular Weight

388.41

References & Citations

[1]Ragamustari, et al. A novel O-methyltransferase involved in the first methylation step of yatein biosynthesis from matairesinol in Anthriscus sylvestris. Plant Biotechnology, 30 (4), 375–384.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

4'-O-Methylthujaplicatin

CAS Number	1613381-17-1
PubChem CID	172653391
IUPAC Name	(3R,4R)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Molecular Formula	C21H24O7
Molecular Weight	388.4
XLogP	3.2
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	513

SMILES

COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)O)O)OC

InChI

InChI=1S/C21H24O7/c1-25-17-5-4-12(9-18(17)26-2)6-14-11-28-21(24)15(14)7-13-8-16(22)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m0/s1

InChIKey

VRHODWSBCIDKJF-LSDHHAIUSA-N

Chemical Structure

2D Structure

CAS: 1613381-17-1

CID: 172653391

Formula: C21H24O7

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	388.15220310
Monoisotopic Mass	388.15220310
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-W025438-01	5’-O- (4,4’-Dimethoxytrityl) -2’-O-methyluridine
HY-N11909-01	8-O-4,8-O-4-Dehydrotriferulic acid
HY-154466-01	5’-O- (4,4’-Dimethoxytrityl) -3’-O-methyluridine
HY-N15069	4'-O-Demethyldianemycin
HY-107306	Glycoside O-4
HY-N8412-01	4-O-Methylbutein
HY-N4300-01	4'-O-Methylochnaflavone
HY-N1909-01	4-O-Galloylbergenin
HY-N8426	4'-O-Methylnyasol
HY-N1911	4-O-Methylhelichrysetin

Alternative Products

Catalog	Name
GTR19239426-01	4'-O-Methylthujaplicatin
ESS0393-01	4',4"-O, O-Dimethylcurcumin
ESS0394-01	4',4"-O, O-Dimethylcurcumin-D6
290219-01	4-o-Tolyl-o, o'-azotoluene
sc-394230	4-o-Tolyl-o, o′-azotoluene
008518	4’-O-Desmethyl 4’-O-Acetyl Diltiazem
TRC-D295700-250MG	4-O-Desmethyl 4-O-Ethyl Trimethoprim
MBS6078696-01	4'-O-Desmethyl 4'-O-Acetyl Diltiazem
sc-500539	4′-O-Desmethyl 4′-O-Acetyl Diltiazem
GTR19178156-01	4,4’-o-BBV

4'-O-Methylthujaplicatin

Chemical Information

Related Products

Alternative Products

Popular Products