Rugosanine B
AlkaPlorer ID: AK312765
Synonym: None
IUPAC Name: 10-benzyl-6-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
Structure
SMILES: COC1=CC=C2C=C1C=CNC(=O)C(CC1=CC=CC=C1)NC(=O)C1C(CCN1C(=O)C(CC1=CNC3=CC=CC=C13)N(C)C)O2
InChI: InChI=1S/C36H39N5O5/c1-40(2)30(21-25-22-38-28-12-8-7-11-27(25)28)36(44)41-18-16-32-33(41)35(43)39-29(19-23-9-5-4-6-10-23)34(42)37-17-15-24-20-26(46-32)13-14-31(24)45-3/h4-15,17,20,22,29-30,32-33,38H,16,18-19,21H2,1-3H3,(H,37,42)(H,39,43)
InChIKey: QZOCUGBTNMSOOJ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 621.7380000000002
TPSA？: 116.0
MolLogP？: 3.5257000000000014
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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