(+)-Cycleabarbatine
AlkaPlorer ID: AK041156
Synonym: ''
IUPAC Name: (1R,14R)-9,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-20-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=C(C=C(OC)C(=C3)OC3=C4C(=CC(O)=C3OC)CCN(C)[C@@H]4C2)CCN1C
InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)16-22-6-9-26(10-7-22)44-33-18-23(8-11-31(33)41-3)17-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1
InChIKey: JIGFMOPXEDLMPQ-FQLXRVMXSA-N
Reference
Alcaloïdes de Gyrocarpus americanus
PubChem CID: 102148101
LOTUS: LTS0185796
SuperNatural Ⅲ: SN0166217-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gyrocarpus americanus | Gyrocarpus | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7350000000001
TPSA？: 72.86
MolLogP？: 6.859400000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|