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Hypericin (native)

CAT: 1106-ALX-350-030-M001Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-ALX-350-030-M001Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
548-04-9
Certification
RUO
Target
PKC
Type
Inhibitor
Source
Isolated from Hypericum perforatum .
Stability
As indicated on product label or CoA when stored as recommended. High purity hypericin tautomerizes to 1,6-dioxo tautomer in the presence of water contained in solvents.
Purity
≥98% (HPLC)
Solubility
Soluble in DMSO (25mg/ml), 100% ethanol, methanol, acetone, ethylmethylketone, pyridine or other organic solvents and bases.
Molecular Formula
C 30 H 16 O 8
Molecular Weight
504.4
Shipping Conditions
Ambient Temperature
Storage Conditions
+4°C
Appearance
Dark brown to black-red powder.

Chemical Information

Hypericin

Hypericin is a carbopolycyclic compound. It has a role as an antidepressant. It derives from a hydride of a bisanthene.

CAS Number548-04-9
PubChem CID3663
IUPAC Name9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione
Molecular FormulaC30H16O8
Molecular Weight504.4
XLogP5.7
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1090
SMILES
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
InChI
InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
InChIKey
YDOIFHVUBCIUHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hypericin
CAS: 548-04-9
CID: 3663
Formula: C30H16O8
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP35.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass504.08451746
Monoisotopic Mass504.08451746
Topological Polar Surface Area156 Ų
Heavy Atom Count38
Formal Charge0
Complexity1090
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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CatalogName
FH01456-01Hypericin

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