Tyraminoporphine
AlkaPlorer ID: AK044326
Synonym: None
IUPAC Name: 10-[2-(4-hydroxyphenyl)ethylamino]-5,11,12-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Structure
SMILES: COC1=CC=C2C(=C1)C(=O)C1=C(NCCC3=CC=C(O)C=C3)C(OC)=C(OC)C3=CC=NC2=C13
InChI: InChI=1S/C27H24N2O5/c1-32-17-8-9-18-20(14-17)25(31)22-21-19(11-13-28-23(18)21)26(33-2)27(34-3)24(22)29-12-10-15-4-6-16(30)7-5-15/h4-9,11,13-14,29-30H,10,12H2,1-3H3
InChIKey: IXBCBSBEBBIYDT-UHFFFAOYSA-N
Reference
Oxoisoaporphines from Menispermum dauricum
PubChem CID: 15489513
LOTUS: LTS0071576
SuperNatural Ⅲ: SN0157563
NPASS: NPC132385
COCONUT: CNP0366531
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Menispermum dauricum | Menispermum | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.4980000000002
TPSA？: 89.91000000000001
MolLogP？: 4.832200000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | IC50 | 2090.0 | nM | 10.1021/np100370g |
| Homo sapiens | J82 | IC50 | 2090.0 | nM | 10.1021/np100370g |
| Homo sapiens | SK-MES-1 | IC50 | 2090.0 | nM | 10.1021/np100370g |
| None | NON-PROTEIN TARGET | IC50 | 2090.0 | nM | 10.1021/np100370g |