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(±) -Heraclenol

CAT: 0013-GTR19230033-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230033-02Size:5 mg
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Description
(±) -Heraclenol is a natural coumarin compound isolated from Angelica lucida fruits, demonstrating antibacterial activity. This small molecule is utilized in microbiological research for studying antimicrobial mechanisms and conducting in vitro assays against susceptible bacterial strains.
CAS Number
118407-74-2
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC=2C (C=C1) =CC=3C=COC3C2OCC (O) C (O) (C) C
Molecular Formula
C16H16O6
Molecular Weight
304.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one

9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone is a member of psoralens.

CAS Number118407-74-2
PubChem CID328236
IUPAC Name9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
Molecular FormulaC16H16O6
Molecular Weight304.29
XLogP1.2
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
InChI
InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
InChIKey
FOINLJRVEBYARJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
CAS: 118407-74-2
CID: 328236
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.29
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass304.09468823
Monoisotopic Mass304.09468823
Topological Polar Surface Area89.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
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

Related Products

CatalogName
GTR19155696-01Heraclenin
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Alternative Products

CatalogName
TB00605Heraclenol
T80015-01(±) -Heraclenol
MBS5821674(+/-)-Heraclenol
TTE1257(-)-Heraclenol
TN4202(-) -Heraclenol
380444Heraclenol acetonide
MBS5790664Isosaxalin; Heraclenol
TB00628Heraclenol 3'-O-glucoside
TRC-H288915-25MGHeraclenol 2'-O-isovalerate
HBA20710-01Heraclenol 3'-o-beta-D-glucopyranoside

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