Makulavamine J
Basic information
- CAS
174232-35-0- Standard SMILES
C[N+]1=c2cc(NCCc3ccc(O)cc3)c(O)c3c2=C(C=N3)CC1- InChIKey
HSEARKUCRKWKOC-UHFFFAOYSA-O- Molecular formula
- C19H20N3O2+
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.15555189
Overview
Makulavamine J has been reported in Zyzzya fuliginosa with data available.
Names & identifiers
- Preferred name
- Makulavamine J
- IUPAC
- 10-[2-(4-hydroxyphenyl)ethylamino]-7-methyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Names & synonyms
Makulavamine J174232-35-0Pyrrolo(4,3,2-de)quinolinium, 1,3,4,8-tetrahydro-7-((2-(4-hydroxyphenyl)ethyl)amino)-5-methyl-8-oxo-Makaluvamine JPyrrolo[4,3,2-de]quinolinium, 1,3,4,8-tetrahydro-7-[[2-(4-hydroxyphenyl)ethyl]amino]-5-methyl-8-oxo-CHEMBL560042SCHEMBL20501057DTXSID101697987-{[2-(4-Hydroxyphenyl)ethyl]amino}-5-methyl-8-oxo-1,3,4,8-tetrahydropyrrolo[4,3,2-de]quinolin-5-ium
Database identifiers
- CAS
174232-35-0- PubChem CID
- 464133
- DTXSID
DTXSID10169798- ChEMBL
CHEMBL560042
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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