Cycleanine; O7,O7'-Di-de-Me
AlkaPlorer ID: AK293432
Synonym: Isochondodendrine, Isobebeerine, Isendryl, Isodendril, O7,O7'-Didemethylcycleanine
IUPAC Name: 5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene-4,19-diol
Structure
SMILES: COC1=CC2=C3C(=C1O)OC1=CC=C(C=C1)CC1C4=C(C=C(OC)C(O)=C4OC4=CC=C(C=C4)CC3N(C)CC2)CCN1C
InChI: InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3
InChIKey: XIOGHHPVBVXQIV-UHFFFAOYSA-N
Reference
Two New Isochondodendrine-Type Alkaloids from the Roots of <i>Anisocycla jollyana</i>
PubChem CID: 626851
CAS: 477-62-3
LOTUS: LTS0241927
COCONUT: CNP0363457.3
Source
Properties Information
Molecule Weight: 594.708
TPSA？: 83.86
MolLogP？: 6.556400000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|