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Chemical structure of Protohypericin

GC39064

Protohypericin

Also known as 9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum· Radioiodinated protohypericin is used in Tumor necrosis targeted radiotherapy

ChemicalCAS548-03-8MW506.46FormulaC30H18O8
CAS number
548-03-8
Molecular weight
506.46
Formula
C30H18O8
Solubility
Soluble in DMSO
InChIKey
DPKVSJZTYNGFAW-UHFFFAOYSA-N
Catalogue number
GC39064
Brand
GLPBIO
Computed properties PubChem CID 164660 · XLogP 3.8 · TPSA 156 Ų · H-bond donors 6
XLogP
3.8
TPSA
156 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
0
Heavy atoms
38

SMILES CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

Computed descriptors from PubChem (CID 164660), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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