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Isoaltenuene

CAT: 0804-HY-N8443Size: 1 EachDry Ice: NoHazardous: No
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Description
Isoaltenuene is an anti-bacterial agent with moderate activity against Staphylococcus aureus. Isoaltenuene can be isolated from fungus Alternaria alternate cib-137[1].
CAS Number
126671-80-5
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/isoaltenuene.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(O)C=C(OC)C=C2C3=C[C@@H](O)[C@H](O)C[C@]3(C)O1
Molecular Formula
C15H16O6
Molecular Weight
292.28
References & Citations
[1]Xu GB, et al. A new alternariol glucoside from fungus Alternaria alternate cib-137. Nat Prod Res. 2015;29 (9) :848-52.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isoaltenuene

Isoaltenuene is a 2-benzopyran.

CAS Number126671-80-5
PubChem CID180444
IUPAC Name(2R,3R,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one
Molecular FormulaC15H16O6
Molecular Weight292.28
XLogP0.7
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity475
SMILES
C[C@]12C[C@H]([C@@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O
InChI
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15+/m1/s1
InChIKey
MMHTXEATDNFMMY-HCKVZZMMSA-N
Chemical Structure
2D Structure
2D structure of Isoaltenuene
CAS: 126671-80-5
CID: 180444
Formula: C15H16O6
MW: 292.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.28
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass292.09468823
Monoisotopic Mass292.09468823
Topological Polar Surface Area96.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
452506-01(+) -Isoaltenuene
BFA67180-01Isoaltenuene
TRC-I779968-25MG(+)-Isoaltenuene

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