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Interiotherin C

CAT: 0013-GTR19181340Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181340Size:5 mg
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Description
Interiotherin C is a promising small molecule with potential as an antitumor promoter and chemopreventive agent. Research indicates its utility in studying cancer prevention mechanisms, supported by in vitro assays and in vivo models investigating its effects on tumorigenesis pathways.
CAS Number
460090-65-7
Smiles
COC1=CC2=C (C (OC) =C1OC) C1=C (OC) C3=C (OCO3) C=C1[C@H] (OC (C) =O) [C@H] (C) [C@H] (C) [C@H]2OC (=O) C (\C) =C/C
Molecular Formula
C30H36O10
Molecular Weight
556.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Interiotherin C

Interiotherin C is a lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from Kadsura ananosma and has been shown to exhibit neuroprotective activity. It has a role as a metabolite and a neuroprotective agent. It is a lignan, an aromatic ether, a fatty acid ester, an oxacycle, an organic heterotetracyclic compound and an acetate ester. It is functionally related to an angelic acid.

CAS Number460090-65-7
PubChem CID10099233
IUPAC Name[(8R,9S,10R,11R)-11-acetyloxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC30H36O10
Molecular Weight556.6
XLogP5.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity922
SMILES
C/C=C(/C)\C(=O)O[C@@H]1[C@H]([C@H]([C@H](C2=CC3=C(C(=C2C4=C(C(=C(C=C14)OC)OC)OC)OC)OCO3)OC(=O)C)C)C
InChI
InChI=1S/C30H36O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)19-12-21-27(38-13-37-21)29(36-9)23(19)22-18(25)11-20(33-6)26(34-7)28(22)35-8/h10-12,15-16,24-25H,13H2,1-9H3/b14-10-/t15-,16+,24-,25-/m1/s1
InChIKey
HIGLJZHMTBHEQS-HWZXAUMYSA-N
Chemical Structure
2D Structure
2D structure of Interiotherin C
CAS: 460090-65-7
CID: 10099233
Formula: C30H36O10
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass556.23084734
Monoisotopic Mass556.23084734
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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