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Tetrahydro tanshinone I

CAT: 0013-GTR19180746Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180746Size:5 mg
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Description
Tetrahydrotanshinone I, a constituent of Fufang Danshen, is used in research to model compound absorption via liposome equilibrium dialysis. This method aids in predicting in vivo bioavailability and potential bioactivity for pharmacological studies of traditional medicine formulations.
CAS Number
126979-84-8
Smiles
O=C1C=2C (C3=C (C1=O) [C@@H] (C) CO3) =CC=C4C2CCC=C4C
Molecular Formula
C18H16O3
Molecular Weight
280.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2,15,16-Tetrahydrotanshiquinone

Trijuganone B has been reported in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia trijuga with data available.

CAS Number126979-84-8
PubChem CID124416
IUPAC Name1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Molecular FormulaC18H16O3
Molecular Weight280.3
XLogP2.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity583
SMILES
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C
InChI
InChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h4,6-7,10H,3,5,8H2,1-2H3
InChIKey
AZIUYJPOBCMPON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,15,16-Tetrahydrotanshiquinone
CAS: 126979-84-8
CID: 124416
Formula: C18H16O3
MW: 280.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass280.109944368
Monoisotopic Mass280.109944368
Topological Polar Surface Area43.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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