Isotrilobine; O12-De-Me
AlkaPlorer ID: AK288925
Synonym: Cocsuline, Efirine, Trigilletine
IUPAC Name: 27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
Structure
SMILES: COC1=CC2=C3C4=C1OC1=C(C=C5C(=C1)CCN(C)C5CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)CC3N(C)CC2)O4
InChI: InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)15-21-6-9-28(38)29(16-21)40-24-7-4-20(5-8-24)14-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3
InChIKey: GOYCVNCWKXBQBF-UHFFFAOYSA-N
Reference
Cocsulin: a new bisbenzylisoquinoline alkaloid fromCocculus pendulus Diels
PubChem CID: 10099394
CAS: 26279-88-9
LOTUS: LTS0172047
COCONUT: CNP0200086.3
Source
Properties Information
Molecule Weight: 562.6660000000002
TPSA？: 63.63000000000001
MolLogP？: 6.947900000000009
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
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