N-Demethylcycleanine
AlkaPlorer ID: AK147336
Synonym: ''
IUPAC Name: (11S,26R)-4,5,19,20-tetramethoxy-10-methyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
Structure
SMILES: COC1=CC2=C3C(=C1OC)OC1=CC=C(C=C1)C[C@H]1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)C[C@H]3NCC2)CCN1C
InChI: InChI=1S/C37H40N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-8-12-26(13-9-23)44-36-32-24(20-30(40-2)34(36)42-4)14-16-38-28(32)18-22-6-10-27(45-37)11-7-22/h6-13,20-21,28-29,38H,14-19H2,1-5H3/t28-,29+/m1/s1
InChIKey: ZYKGNXPEWXZKGA-WDYNHAJCSA-N
Reference
New Bisbenzylisoquinolines from Stephania pierrii
PubChem CID: 163067756
LOTUS: LTS0114770
Source
Properties Information
Molecule Weight: 608.735
TPSA？: 70.65
MolLogP？: 6.820200000000008
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 10
Activities Information
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