Currayanine
Basic information
- CAS
25488-33-9- Standard SMILES
C=C(C)C1CCC2(C)CC1c1c(c(C)cc3c1[nH]c1ccccc13)O2- InChIKey
KXNHNLQCCJZSEK-UHFFFAOYSA-N- Molecular formula
- C23H25NO
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.19361442
Overview
Currayanine is a member of carbazoles.
Names & identifiers
- Preferred name
- Currayanine
- IUPAC
- 13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
- English name
- Cyclomahanimbine
- Molecular formula
- C23H25NO
- Molecular weight
- 331.46
Names & synonyms
CurrayanineMurrayazolidineCyclomahanimbineCurryanine1,2,3,4,5,13-Hexahydro-5,7-dimethyl-2-(1-methylethenyl)-1,5-methanooxocino[3,2-a]carbazole, 9CI13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0^{2,14}.0^{3,11}.0^{5,10}]icosa-2,5,7,9,11,13-hexaene13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene1,2,3,4,5,13-Hexahydro-5,7-dimethyl-2-(1-methylethenyl)-1,5-methanooxocino(3,2-a)carbazole, 9ci13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo(14.3.1.0^(2,14).0^(3,11).0^(5,10))icosa-2,5,7,9,11,13-hexaene13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo(14.3.1.02,14.03,11.05,10)icosa-2(14),3(11),5,7,9,12-hexaeneRefChem:128896NSC654278
Show more names
1,5-Methanooxocino[3,2-a]carbazole, 1,2,3,4,5,13-hexahydro-5,7-dimethyl-2-(1-methylethenyl)-, (1α,2β,5α)- (9CI)
CHEMBL1973644SCHEMBL30852874CHEBI:179458DTXSID501317075NSC-65427825488-33-95,7-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,5,13-hexahydro-1,5-methanooxocino[3,2-a]carbazoleNCI60_018842
Database identifiers
- CAS
25488-33-9- PubChem CID
- 375144
- DTXSID
DTXSID501317075- ChEMBL
CHEMBL1973644- ChEBI
CHEBI:179458- Nikkaji
- J1.372.542J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 558
Experimental & physicochemical properties
Melting Point146 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 143 °C · 143°C
- Boiling point
- 492 · 492.0±45.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 17.49 · 17.49±0.60(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionThe structure of this alkaloid has recently been revised to that shown above.
Additional notes
DefinitionChEBI: Currayanine is a member of carbazoles.
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