Obaberine; O7',O12-Di-de-Me
AlkaPlorer ID: AK299817
Synonym: Aromoline, 2-N-Methyldaphnoline, Thalicrine
IUPAC Name: 20,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)C3CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3
InChIKey: LFFQVHXIFJLJSP-UHFFFAOYSA-N
Reference
Anti-Herpes Simplex Virus Activity of Alkaloids Isolated from Stephania cepharantha.
PubChem CID: 122728
CAS: 99945-41-2
LOTUS: LTS0252882
COCONUT: CNP0189606.4
Source
Properties Information
Molecule Weight: 594.7080000000001
TPSA？: 83.86000000000001
MolLogP？: 6.556400000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
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