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Tan 931

CAT: 0013-GTR19208311-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208311-02Size:50 mg
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Description
Tan 931 is a nonsteroidal aromatase inhibitor originally isolated from the fungal strain No. 8974. It is a research tool used in vitro and in vivo to study estrogen biosynthesis, with applications in oncology and endocrinology research.
CAS Number
127448-92-4
Smiles
C (=O) (C1=C (C=O) C=C (C (O) =O) C=C1O) C2=C (O) C=CC=C2O
Molecular Formula
C15H10O7
Molecular Weight
302.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2,6-Dihydroxybenzoyl)-3-Formyl-5-Hydroxybenzoic Acid

TAN-931 is a member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 3, a hydroxy group at position 5 and a 2,6-dihydroxybenzoyl group at position 4. Isolated from Penicillium purpurogenum, it exhibits antiviral activity. It has a role as an antiviral agent, an EC 1.14.14.14 (aromatase) inhibitor and a Penicillium metabolite. It is a member of benzaldehydes, a member of benzoic acids, a member of benzophenones and a member of resorcinols.

CAS Number127448-92-4
PubChem CID130935
IUPAC Name4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid
Molecular FormulaC15H10O7
Molecular Weight302.23
XLogP1.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity439
SMILES
C1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2O)C(=O)O)C=O)O
InChI
InChI=1S/C15H10O7/c16-6-8-4-7(15(21)22)5-11(19)12(8)14(20)13-9(17)2-1-3-10(13)18/h1-6,17-19H,(H,21,22)
InChIKey
INVAPAXTQZQLGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-Dihydroxybenzoyl)-3-Formyl-5-Hydroxybenzoic Acid
CAS: 127448-92-4
CID: 130935
Formula: C15H10O7
MW: 302.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.23
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass302.04265265
Monoisotopic Mass302.04265265
Topological Polar Surface Area132 Ų
Heavy Atom Count22
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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