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Acerogenin G

CAT: 0804-HY-N9240-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9240-01Size:1 mg
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Description
Acerogenin G is a synthetic diarylheptane. Acerogenin G is first isolated from Acer nikoense[1].
CAS Number
130233-83-9
UNSPSC
12352005
Hazard Statement
H410
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/acerogenin-g.html
Solubility
10 mM in DMSO
Smiles
O=C(CCCCC1=CC=C(O)C=C1)CCC2=CC=C(O)C=C2
Molecular Formula
C19H22O3
Molecular Weight
298.38
Precautions
P273-P391-P501
References & Citations
[1]Tetsuhiro Ogura, et al. Total synthesis of acerogenins E, G and K, and centrolobol. Tetrahedron.2013, 63.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1,7-Bis(4-Hydroxyphenyl)Heptan-3-One

1,7-bis(4-hydroxyphenyl)-3-heptanone is a diarylheptanoid that is 3-heptanone substituted by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a ketone, a member of phenols and a diarylheptanoid.

CAS Number130233-83-9
PubChem CID14608480
IUPAC Name1,7-bis(4-hydroxyphenyl)heptan-3-one
Molecular FormulaC19H22O3
Molecular Weight298.4
XLogP3.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity313
SMILES
C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2
InChIKey
QUHYUSAHBDACNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Bis(4-Hydroxyphenyl)Heptan-3-One
CAS: 130233-83-9
CID: 14608480
Formula: C19H22O3
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass298.15689456
Monoisotopic Mass298.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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