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Transilin

CAT: 0931-T80956-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80956-02Size:50 mg
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CAS Number
26931-68-0
Bioactivity
Transilin, a sesquiterpene lactone, can be isolated from the entire Lepisorus contortus (Christ) Ching plant [1].
Smiles
O=C1C=2C(OC(=C1OC)C3=CC(O)=C(O)C=C3)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC2O
Molecular Formula
C22H22O12
Molecular Weight
478.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Transilin

3-O-methylquercetin-7-O-beta-D-glucopyranoside is a quercetin O-glucoside that is 3-O-methylquercetin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus. It has a role as a metabolite and a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative and a quercetin O-glucoside.

CAS Number26931-68-0
PubChem CID15595751
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.7
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity773
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1
InChIKey
LKXBGSZMRNJAST-UKWZQOBBSA-N
Chemical Structure
2D Structure
2D structure of Transilin
CAS: 26931-68-0
CID: 15595751
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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