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Isogarciniaxanthone E

CAT: 0926-FI42686-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FI42686-04Size:10 mg
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CAS Number
659747-28-1
MDL Number
MFCD20260727
Smiles
CC (=CCC1=C2C (=C (C=C1O) O) C (=O) C3=C (O2) C (=C (C (=C3CC=C (C) C) CC=C (C) C) O) O) C
Controlled
No

Chemical Information

1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone

1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells. It has a role as a metabolite and a nerve growth factor stimulator. It is a member of phenols and a member of xanthones.

CAS Number659747-28-1
PubChem CID10389717
IUPAC Name3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC28H32O6
Molecular Weight464.5
XLogP7.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity817
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C(=C3CC=C(C)C)CC=C(C)C)O)O)C
InChI
InChI=1S/C28H32O6/c1-14(2)7-10-17-18(11-8-15(3)4)24(31)26(33)28-22(17)25(32)23-21(30)13-20(29)19(27(23)34-28)12-9-16(5)6/h7-9,13,29-31,33H,10-12H2,1-6H3
InChIKey
HAHRYXGQWSJKPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
CAS: 659747-28-1
CID: 10389717
Formula: C28H32O6
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP37.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass464.21988874
Monoisotopic Mass464.21988874
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
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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