Hernandonine
Basic information
- CAS
28314-78-5- Standard SMILES
O=C1c2ccc3c(c2-c2c4c(cc5ccnc1c25)OCO4)OCO3- InChIKey
QHFWZNALDDSHFJ-UHFFFAOYSA-N- Molecular formula
- C18H9NO5
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.04807239
Overview
Hernandonine is an oxoaporphine alkaloid isolated from Hernandia ovigera and Lindera chunii and has been shown exhibit inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is an oxoaporphine alkaloid, an oxacycle, a cyclic ketone and an organic heterohexacyclic compound.
Names & identifiers
- Preferred name
- Hernandonine
- IUPAC
- 4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one
Names & synonyms
HernandonineCHEBI:6601111H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one11H-(1,3)Benzodioxolo(6,5,4-de)-1,3-benzodioxolo(4,5-g)quinolin-11-one4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one11H-bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-11-one11H-[1,3]Benzodioxolo[6,5,4-de]-1,3-benzodioxolo[4,5-g]quinolin-11-one4,6,19,21-tetraoxa-13-azahexacyclo(10.10.1.02,10.03,7.016,23.018,22)tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-oneRefChem:92287128314-78-58H-Bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-8-oneSCHEMBL30637447
Show more names
DTXSID90182561Q271345152H,5H,11H-Bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one
Database identifiers
- CAS
28314-78-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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