Npc204071
Basic information
- CAS
120849-18-5- Standard SMILES
CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C- InChIKey
QFAOFAWTSOFSQA-UHFFFAOYSA-N- Molecular formula
- C28H32O10
- Average molar mass
- 528.5 g/mol
- Monoisotopic mass
- 528.19954721
Overview
Physalin O is a physalin.
Names & identifiers
- Preferred name
- Npc204071
- IUPAC
- 5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
- English name
- 1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,19(1H,8aH)-tetrone, 2,3,6,6a,9,10,10a,10b,14,16,16a,17-dodecahydro-8a,16,17-trihydroxy-2,3,6a,10b-tetramethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)-
- Molecular formula
- C28H32O10
- Molecular weight
- 528.55
Names & synonyms
RefChem:1092859Npc204071(25S)-25,27-Dihydrophysalin ANSC661114CHEBI:1807601H-7,15b-Epoxy-3,5-(epoxyethano)naphtho[2',1':6,7]cyclonona[1,2,3-cd]benzofuran-1,6,13,18(4H,10H)-tetrone, 2a,3,5,5a,7,7a,8,13a,13b,14,15,15a-dodecahydro-7,8,15a-trihydroxy-2a,5,13a,17-tetramethyl-Physalin O1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,19(1H,8aH)-tetrone, 2,3,6,6a,9,10,10a,10b,14,16,16a,17-dodecahydro-8a,16,17-trihydroxy-2,3,6a,10b-tetramethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)-
Database identifiers
- CAS
120849-18-5- PubChem CID
- 495589
- ChEBI
CHEBI:180760
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,300
Experimental & physicochemical properties
Melting Point272 - 273 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 823.1 · 823.1±65.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesPhysalin O is a physalin that can be isolated from Physalis angulata. Physalin O shows cytotoxicity to Hep G2 and MCF-7 cancer cells with IC50 values of 31.1 and 11.4 μM, respectively. Physalin O inhibits the production of nitric oxide (NO) and shows anti-inflammatory activities[1][2].
Additional notes
DefinitionChEBI: Physalin O is a physalin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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