Basic information
- CAS
524-89-0- Standard SMILES
COc1c2cc3c(cc2nc2occc12)OCO3- InChIKey
VPNYHHBCMOYPCJ-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Overview
Maculine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- Maculine
- IUPAC
- 8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene
- English name
- MACULINE
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
Maculine524-89-01,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-67W5VPJ6AXNSC-946589-Methoxy-1,3-dioxolo(4,5-g)furo(2,3-b)quinolineDTXSID902004169-Methoxy-1,3-dioxolo[4,5-g]furo[2,3-b]quinoline8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene1,3-Dioxolo[4,5-g]furo[2,3-b]quinoline, 9-methoxy-8-methoxy-4,12,14-trioxa-2-azatetracyclo(7.7.0.03,7.011,15)hexadeca-1(16),2,5,7,9,11(15)-hexaeneRefChem:155057
Show more names
1,3-Dioxolo[4,5-g]furo[2,3-b]quino
DTXCID90122907MaculinMakulinCCRIS 35779-Methoxy-[1,3]dioxolo[4,5-g]furo[2,3-b]quinolineNSC 94658BRN 02555999-Methoxy[1,3]dioxolo[4,5-g]furo[2,3-b]quinoline
Database identifiers
- CAS
524-89-0- PubChem CID
- 68232
- DTXSID
DTXSID90200416- ChEMBL
CHEMBL503675- ChEBI
CHEBI:6629- UNII
- 67W5VPJ6AX
- Nikkaji
- J11.719F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 196 · 196-7°C
- Boiling point
- 386.08 °C · 386.08°C (rough estimate)
- Density
- 1.2929 · 1.2929 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- pka
- 7.47 · 7.47±0.20(Predicted)
- FDA UNII
- 67 W5VPJ6AX · 67W5VPJ6AX
Chemistry & industry
Applications
DescriptionA furoquinoline alkaloid present in Flindersia dissosperrna and F. rnaculosa Lindl., the base crystallizes from MeOH or EtOH as colourless needles. The base is characterized as the hydrochloride, m.p. 205-2100 C (dec.) which is best obtained from dilute HCI and the picrate, m.p. 198°C (dec.). The structure has been determined mainly on the basis of the fragmentation pattern of the mass spectrum.
Suppliers2 total
SPECS[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: Maculine is an oxacycle, an organonitrogen heterocyclic compound and an organic heterotricyclic compound.
Related reactions
0 records
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Compound notes
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