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Cannabisin A

CAT: 0804-HY-N1959-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1959-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cannabisin A is a natural product in seeds in sprouts[1].
CAS Number
130508-46-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cannabisin-a.html
Purity
99.21
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(C1=C(C2=CC(O)=C(O)C=C2)C3=CC(O)=C(O)C=C3C=C1C(NCCC4=CC=C(O)C=C4)=O)NCCC5=CC=C(O)C=C5
Molecular Formula
C34H30N2O8
Molecular Weight
594.61
References & Citations
[1]Frassinetti S, et al. Nutraceutical potential of hemp (Cannabis sativa L.) seeds and sprouts. Food Chem. 2018;262:56-66.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cannabisin A
CAS Number130508-46-2
PubChem CID15086398
IUPAC Name1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]naphthalene-2,3-dicarboxamide
Molecular FormulaC34H30N2O8
Molecular Weight594.6
XLogP5.1
Topological Polar Surface Area180
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity936
SMILES
C1=CC(=CC=C1CCNC(=O)C2=C(C(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O)C(=O)NCCC5=CC=C(C=C5)O)O
InChI
InChI=1S/C34H30N2O8/c37-23-6-1-19(2-7-23)11-13-35-33(43)26-15-22-17-29(41)30(42)18-25(22)31(21-5-10-27(39)28(40)16-21)32(26)34(44)36-14-12-20-3-8-24(38)9-4-20/h1-10,15-18,37-42H,11-14H2,(H,35,43)(H,36,44)
InChIKey
CLNINZAIEQRASP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cannabisin A
CAS: 130508-46-2
CID: 15086398
Formula: C34H30N2O8
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP35.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass594.20021592
Monoisotopic Mass594.20021592
Topological Polar Surface Area180 Ų
Heavy Atom Count44
Formal Charge0
Complexity936
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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