Molecule

Cycleaneonine; (1S,1'S)-form

AlkaPlorer ID: AK293427

Synonym: None

IUPAC Name: 9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaen-32-ol

Structure

SMILES: COC1=C2OCC3=CC=C(C=C3)CC3C4=C(OC5=CC=C(C=C5)CC5C(=C2O)C(=C1)CCN5C)C(OC)=C(OC)C=C4CCN3C

InChI: InChI=1S/C38H42N2O6/c1-39-16-14-26-20-31(42-3)36-35(41)33(26)29(39)18-24-10-12-28(13-11-24)46-38-34-27(21-32(43-4)37(38)44-5)15-17-40(2)30(34)19-23-6-8-25(9-7-23)22-45-36/h6-13,20-21,29-30,41H,14-19,22H2,1-5H3

InChIKey: BPJPWJSSKSLGNM-UHFFFAOYSA-N

Reference

Three cissampareine-type bisbenzylisoquinoline alkaloids from Cyclea species

PubChem CID: 159552

CAS: 151380-29-9

LOTUS: LTS0131433

NPASS: NPC120414

COCONUT: CNP0183459.6

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stephania japonica	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyclea racemosa	Cyclea	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania tetrandra	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia kaempferi	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 622.7620000000001

TPSA？: 72.86

MolLogP？: 6.646100000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi