Cuevaene B

CAT: 0013-GTR19255834-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255834-01Size:50 mg

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Description

Cuevaene B can be isolated from the Streptomyces genus gdmAI-disrupted LZ35 strain. This compound exhibits moderate activity against Gram-positive bacteria, such as Bacillus subtilis (strain ATCC 11060), and shows moderate activity against fungi, including Fusarium verticillioides (strain S68) and Rhizoctonia solani (strain GXE4) .

CAS Number

274684-11-6

Field of Research

Infectious Disease & Virology

Smiles

C (=C (/C=C (/C=C/C (O) =O) \OC) \C) \C1C (=C (O) CCC1) C2=C (O) C=C (O) C (O) =C2

Molecular Formula

C21H24O7

Molecular Weight

388.411

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Cuevaene B

isolated from Streptomyces; structure in first source

CAS Number	274684-11-6
PubChem CID	10430346
IUPAC Name	(2E,4Z,6E)-7-[2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid
Molecular Formula	C21H24O7
Molecular Weight	388.4
XLogP	3.2
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	689

SMILES

C/C(=C\C1CCCC(=C1O)C2=CC(=C(C=C2O)O)O)/C=C(/C=C/C(=O)O)\OC

InChI

InChI=1S/C21H24O7/c1-12(9-14(28-2)6-7-20(25)26)8-13-4-3-5-15(21(13)27)16-10-18(23)19(24)11-17(16)22/h6-11,13,22-24,27H,3-5H2,1-2H3,(H,25,26)/b7-6+,12-8+,14-9-

InChIKey

WKLFGCOQAHCWHB-PINZUCEXSA-N

Chemical Structure

2D Structure

CAS: 274684-11-6

CID: 10430346

Formula: C21H24O7

MW: 388.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	388.15220310
Monoisotopic Mass	388.15220310
Topological Polar Surface Area	127 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	689
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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