Obaberine; O7',O12-Di-de-Me, N2-de-Me
AlkaPlorer ID: AK308308
Synonym: Daphnoline, Trilobamine
IUPAC Name: None
Structure
SMILES: COC1=CC2=C3C=C1OC1=C(O)C(OC)=CC4=C1C(CC1=CC=CC(=C1)OC1=CC(=CC=C1O)CC3NCC2)N(C)CC4
InChI: InChI=1S/C35H36N2O6/c1-37-12-10-23-18-32(41-3)34(39)35-33(23)27(37)15-20-5-4-6-24(13-20)42-29-16-21(7-8-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)9-11-36-26/h4-8,13,16-19,26-27,36,38-39H,9-12,14-15H2,1-3H3
InChIKey: KIVLCCDAANNXMQ-UHFFFAOYSA-N
Reference
CAS: 479-36-7
Source
Properties Information
Molecule Weight: 580.681
TPSA？: 92.65
MolLogP？: 6.214200000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
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