Stephadione
AlkaPlorer ID: AK072124
Synonym: None
IUPAC Name: 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1,3,8,10,12(23),16,18(22)-heptaene-14,15-dione
Structure
SMILES: CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C4C=C5OCOC5=CC4=CC1=C23
InChI: InChI=1S/C19H11NO6/c1-20-11-2-8-3-12-13(24-6-23-12)4-9(8)16-15(11)10(17(21)19(20)22)5-14-18(16)26-7-25-14/h2-5H,6-7H2,1H3
InChIKey: AKCPDBGRLKSGAI-UHFFFAOYSA-N
Reference
A 4,5-Dioxoaporphine from the Aerial Parts of Stephania tetrandra
PubChem CID: 163005818
CAS: 142905-22-4
LOTUS: LTS0026110
SuperNatural Ⅲ: SN0007707
NPASS: NPC254196
COCONUT: CNP0280118
Source
Properties Information
Molecule Weight: 349.2980000000001
TPSA?: 74.30000000000001
MolLogP?: 2.6095000000000006
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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