Basic information
- CAS
35930-31-5- Standard SMILES
COc1cc2c(c3oc(C)cc(=O)c13)C=CC(C)(C)O2- InChIKey
KADZFFQFRJPWDH-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
5-O-Methylalloptaeroxylin is a member of chromenes.
Names & identifiers
- Preferred name
- Perforatin A
- IUPAC
- 5-methoxy-2,8,8-trimethylpyrano[2,3-h]chromen-4-one
- English name
- 5-O-Methylalloptaeroxylin
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
Perforatin A5-O-Methylalloptaeroxylin35930-31-5O-MethylalloptaeroxylinCHEMBL2164965C090145-methoxy-2,8,8-trimethylpyrano[2,3-h]chromen-4-one4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-methoxy-2,8,8-trimethyl-AC1L9C0WCHEBI:2108orb1991753DTXSID50331694
Show more names
AKOS040735004T124958Q271055554H,8H-Benzo[1,2-b:3,4-b?]dipyran-4-one, 5-methoxy-2,8,8-trimethyl-5-Methoxy-2,8,8-trimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one4H,8H-Benzo[1,2-b:3,4-b inverted exclamation marka]dipyran-4-one, 5-methoxy-2,8,8-trimethyl-
Database identifiers
- CAS
35930-31-5- PubChem CID
- 441968
- DTXSID
DTXSID50331694- ChEMBL
CHEMBL2164965- ChEBI
CHEBI:2108- Nikkaji
- J691.577I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 153 · 153-155 °C
- Boiling point
- 435.1 · 435.1±45.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
Additional notes
DefinitionChEBI: 5-O-Methylalloptaeroxylin is a member of chromenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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