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Morellin

CAT: 0013-GTR19255719-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255719-02Size:50 mg
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Description
Morellin, a cage-type tetrayclic xanthonoid compound, is found in the fruit of Garcinia hanburyi. It exhibits antibacterial activity with a minimum inhibitory concentration (MIC) of 200 μg/mL against methicillin-resistant Staphylococcus aureus (MRSA), making it a potential candidate for anti-infective research.
CAS Number
1183-12-6
Field of Research
Infectious Disease & Virology
Smiles
C (/C=C (\C=O) /C) [C@@]12[C@]34C (C (=O) C=5C (O3) =C (CC=C (C) C) C6=C (C5O) C=CC (C) (C) O6) =C[C@@] (C1=O) (C[C@]4 (C (C) (C) O2) [H]) [H]
Molecular Formula
C33H36O7
Molecular Weight
544.635
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal

Morellin is an organic heterohexacyclic compound that is the major chromenoxanthone pigment present in Garcinia morella Desr.seed coat extract. It has a role as an antineoplastic agent. It is an aldehyde, a polycyclic cage, a member of phenols, a cyclic ether, a cyclic ketone and an organic heterohexacyclic compound.

CAS Number1183-12-6
PubChem CID71306322
IUPAC Name(Z)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
Molecular FormulaC33H36O7
Molecular Weight544.6
XLogP5.3
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity1280
SMILES
CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C=O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23+,32+,33-/m1/s1
InChIKey
COQAPWLZSHQTKA-MSDOJSJISA-N
Chemical Structure
2D Structure
2D structure of (2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal
CAS: 1183-12-6
CID: 71306322
Formula: C33H36O7
MW: 544.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass544.24610348
Monoisotopic Mass544.24610348
Topological Polar Surface Area99.1 Ų
Heavy Atom Count40
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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