Romucosine
AlkaPlorer ID: AK023196
Synonym: '(-)-Romucosine'
IUPAC Name: methyl (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate
Structure
SMILES: COC(=O)N1CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2C[C@H]31
InChI: InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
InChIKey: XBZPCDCYDZGHSV-CQSZACIVSA-N
Reference
Isoquinoline Alkaloids and Lignans from <i>Rollinia mucosa</i>
PubChem CID: 10734687
LOTUS: LTS0153801
SuperNatural Ⅲ: SN0426058-02
NPASS: NPC74080
Source
Properties Information
Molecule Weight: 323.34800000000007
TPSA？: 48.0
MolLogP？: 3.304000000000002
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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