Isotylocrebrine
AlkaPlorer ID: AK004146
Synonym: ''
IUPAC Name: (13aS)-3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Structure
SMILES: COC1=C(OC)C=C2C(=C1)C1=C(C[C@@H]3CCCN3C1)C1=CC=C(OC)C(OC)=C12
InChI: InChI=1S/C24H27NO4/c1-26-20-8-7-15-16-10-14-6-5-9-25(14)13-19(16)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m0/s1
InChIKey: ZRGRTHUWZSWRSQ-AWEZNQCLSA-N
Reference
Phenanthroindolizidine alkaloids from Tylophora tanakae
PubChem CID: 12304631
LOTUS: LTS0033384
SuperNatural Ⅲ: SN0478177-01
NPASS: NPC244112
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000001
TPSA？: 40.16
MolLogP？: 4.547900000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 43.0 | nM | 10.1021/np0106384 |
| None | NON-PROTEIN TARGET | IC50 | 54.0 | nM | 10.1021/np0106384 |