Basic information
- CAS
477-52-1- Standard SMILES
COc1cc([C@H]2C3=C(COC3=O)Cc3cc4c(cc32)OCO4)cc(OC)c1OC- InChIKey
OPGVEBTYBAOEHZ-LJQANCHMSA-N- Molecular formula
- C22H20O7
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.12090297
Overview
beta-Apopicropodophyllin is a component of the freshwater plant Micranthemum umbrosum.
Names & identifiers
- Preferred name
- (5R)-5,9-Dihydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one
- IUPAC
- (5R)-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
- English name
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5,9-dihydro-5-(3,4,5-trimethoxyphenyl)-, (5R)-
- Molecular formula
- C22H20O7
- Molecular weight
- 396.39
Names & synonyms
beta-Apopicropodophyllin477-52-1DTXSID00197247RefChem:906200DTXCID10119738(5R)-5,9-Dihydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-oneFuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 5,9-dihydro-5-(3,4,5-trimethoxyphenyl)-, (R)-|?-ApopicropodophyllinCHEMBL330498orb1981818SCHEMBL24008702HY-N11600
Show more names
β-ApopicropodophyllinFuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5,9-dihydro-5-(3,4,5-trimethoxyphenyl)-, (5R)-
DB15590(5R)-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-oneDA-68908CS-0650877T75622(5R)-5-(3,4,5-Trimethoxyphenyl)-5,9-dihydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one(R)-5-(3,4,5-Trimethoxyphenyl)-5,9-dihydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 580.8 · 580.8±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
Chemistry & industry
Applications
Usesβ-Apopicropodophyllin is a nature product that could be isolated from Hyptis wticillata.β-Apopicropodophyllin induces apoptosis by inducing microtubule disruption, DNA damage, cell cycle arrest and ER stress. β-Apopicropodophyllin can be used in research of cancer[1].
Suppliers1 total
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Related reactions
0 records
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Compound notes
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