Basic information
- CAS
23133-56-4- Standard SMILES
C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4- InChIKey
HVTFEHJSUSPQBK-DNJDGUCCSA-N- Molecular formula
- C28H30O9
- Average molar mass
- 510.5 g/mol
- Monoisotopic mass
- 510.18898253
Overview
CID 11613161 has been reported in Witheringia solanacea, Alkekengi officinarum, and other organisms with data available.
Names & identifiers
- Preferred name
- Physalin B
- IUPAC
- (1R,2S,5R,8S,9R,17R,18R,21S,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone
- English name
- physalin B
- Molecular formula
- C28H30O9
- Molecular weight
- 510.53
Names & synonyms
Physalin B23133-56-4DTXSID901318463NSC-287088CHEBI:69017RefChem:929221DTXCID5017482725-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo(16.9.1.118,27.01,5.02,24.08,17.09,14.021,26)nonacosa-11,14-diene-4,10,22,29-tetroneCHEMBL504404orb1684320SCHEMBL30775538HY-N7695
Show more names
Physalin B, 10 mM in DMSO(16S,25S)-14α,17α:14,27-Diepoxy-13,20,22α-trihydroxy-1,15-dioxo-16,24-cyclo-13,14-secoergosta-2,5-diene-18,26-dioic acid 18,20:26,22-dilactone(16S,22R,25S)-14α,17α:14,27-Diepoxy-13,20,22-trihydroxy-1,15-dioxo-16,24-cyclo-13,14-secoergosta-2,5-diene-18,26-dioic acid 18,20:26,22-dilactone17,3-(Epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone, 2,3,6,6a,9,10,10a,14,16,16a-decahydro-8a-hydroxy-2,6a,10b-trimethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16aR,17R,18aR)-
BDBM50378034TN2063AKOS040760627EBC-615488DA-76842MS-29476CS-0135227NS00093769
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,300
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- pka
- 12.27 · 12.27±0.70(Predicted)
- color
- Off-white to light yellow
Chemistry & industry
Applications
UsesPhysalin B, one of the major active steroidal constituents of Cape gooseberry, induces cell cycle arrest and triggers apoptosis in breast cancer cells through modulating p53-dependent apoptotic pathway. Physalin B inhibits the ubiquitin-proteasome pathway and induces incomplete autophagic response in human colon cancer cells in vitro[1][2].
Suppliers28 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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