Coclobine
AlkaPlorer ID: AK173483
Synonym: '(+)-Coclobine'
IUPAC Name: (14S)-6,20,21,25-tetramethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(C=C(OC)C(OC)=C3OC3=C(OC)C=C4CCN=C(C2)C4=C3)CCN1C
InChI: InChI=1S/C37H38N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m0/s1
InChIKey: VKYYZOPCSAFKST-LJAQVGFWSA-N
Reference
A New Bisbenzylisoquinoline-N-oxide Alkaloid from Seeds of Anisocycla cymosa
PubChem CID: 5315989
LOTUS: LTS0075145
SuperNatural Ⅲ: SN0393100-02
NPASS: NPC234449
Source
Properties Information
Molecule Weight: 606.7190000000002
TPSA？: 70.98
MolLogP？: 6.978600000000008
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
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