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Heraclenol

CAT: 0931-TN1730-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1730-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31575-93-6
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9989
Bioactivity
Heraclenol is derived from the fruits of Angelica lucida with antibacterial activities. Heraclenol is a germination inhibitor in the parsley and lettuce seeds.
Smiles
O(C[C@H](C(C)(C)O)O)C=1C2=C(C=C3C1OC=C3)C=CC(=O)O2
Molecular Formula
C16H16O6
Molecular Weight
304.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Heraclenol

heraclenol has been reported in Pleurospermum rivulorum, Ferula sumbul, and other organisms with data available.

CAS Number31575-93-6
PubChem CID73253
IUPAC Name9-[(2R)-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@@H](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/t11-/m1/s1
InChIKey
FOINLJRVEBYARJ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Heraclenol
CAS: 31575-93-6
CID: 73253
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TL0013-01Heraclenin

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CatalogName
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TTE1257(-)-Heraclenol
HY-N4052A(±) -Heraclenol
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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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