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Cuevaene A

CAT: 0013-GTR19255839-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255839-02Size:10 mg
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Description
Cuevaene A can be isolated from the Streptomyces genus gdmAI-disrupted LZ35 strain. It exhibits moderate activity against Gram-positive bacteria, such as Bacillus subtilis (strain ATCC 11060), and demonstrates moderate activity against fungi, including Fusarium verticillioides (strain S68) and Rhizoctonia solani (strain GXE4) .
CAS Number
1246172-08-6
Field of Research
Infectious Disease & Virology
Smiles
C (=C (/C=C (/C=C/C (O) =O) \OC) \C) \C1C=2C=3C (OC2CCC1) =CC=C (O) C3
Molecular Formula
C21H22O5
Molecular Weight
354.396
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid

Cuevaene A is a monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group. It has a role as a metabolite. It is a member of phenols, a member of dibenzofurans, an enol ether and an alpha,beta-unsaturated monocarboxylic acid.

CAS Number1246172-08-6
PubChem CID71728450
IUPAC Name(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid
Molecular FormulaC21H22O5
Molecular Weight354.4
XLogP4.7
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity606
SMILES
C/C(=C\C1CCCC2=C1C3=C(O2)C=CC(=C3)O)/C=C(/C=C/C(=O)O)\OC
InChI
InChI=1S/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10+,16-11-
InChIKey
LWPQRRAIIWETLD-LUGDWHTQSA-N
Chemical Structure
2D Structure
2D structure of (2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid
CAS: 1246172-08-6
CID: 71728450
Formula: C21H22O5
MW: 354.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass354.14672380
Monoisotopic Mass354.14672380
Topological Polar Surface Area79.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14111Cuevaene A
TN10464-01Cuevaene B

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