7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one
AlkaPlorer ID: AK262423
Synonym: None
IUPAC Name: 7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethylphenoxazin-3-one
Structure
SMILES: CC1=CC(=O)C=C2OC3=CC(N)=C(C4=C(C)C=C(O)C=C4O)C(C)=C3N=C21
InChI: InChI=1S/C21H18N2O4/c1-9-4-12(24)6-15(26)18(9)19-11(3)21-17(8-14(19)22)27-16-7-13(25)5-10(2)20(16)23-21/h4-8,24,26H,22H2,1-3H3
InChIKey: NNZHGEUZKBYASA-UHFFFAOYSA-N
Reference
Pyrrolizidine Alkaloids of<i> Echium vulgare</i> Honey Found in Pure Pollen
PubChem CID: 5036900
CAS: 1400-62-0
COCONUT: CNP0106646
Source
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Properties Information
Molecule Weight: 362.3850000000001
TPSA?: 109.58
MolLogP?: 3.878460000000002
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
