Insularine
AlkaPlorer ID: AK011899
Synonym: 'O-Methylinsulanoline'
IUPAC Name: (1R,16R)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.025,33.028,32.016,36]octatriaconta-3(38),4,6(37),8(36),9,11,18(35),19,21,25,27,32-dodecaene
Structure
SMILES: COC1=CC2=C3C(=C1OC)OC1=CC=C(C=C1)C[C@@H]1C4=C(C=C(OC)C5=C4OC4=CC=C(C=C4CO5)C[C@H]3N(C)CC2)CCN1C
InChI: InChI=1S/C38H40N2O6/c1-39-14-13-25-20-32(42-4)36-38-34(25)28(39)17-22-6-9-27(10-7-22)45-37-33-24(19-31(41-3)35(37)43-5)12-15-40(2)29(33)18-23-8-11-30(46-38)26(16-23)21-44-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-/m1/s1
InChIKey: DPLLCJFNXPKFPB-FQLXRVMXSA-N
Reference
Alkaloidal Variation in Cissampelos Capensis (Menispermaceae)
PubChem CID: 10348927
CAS: 549-07-5
LOTUS: LTS0105068
SuperNatural Ⅲ: SN0071953-01
NPASS: NPC160842
Source
Properties Information
Molecule Weight: 620.746
TPSA？: 61.860000000000014
MolLogP？: 7.046200000000008
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 11
Activities Information
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