Heteropsine
AlkaPlorer ID: AK086818
Synonym: None
IUPAC Name: 13-(15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
Structure
SMILES: COC1=CC2=C3C(=C(C4=C5NCCC6=CC7=C(OCO7)C(=C65)C5=CC=CC=C45)C4=CC=CC=C4C3=C1OC)NCC2
InChI: InChI=1S/C35H28N2O4/c1-38-24-15-18-11-13-36-32-26(18)30(34(24)39-2)22-9-5-3-7-20(22)28(32)29-21-8-4-6-10-23(21)31-27-19(12-14-37-33(27)29)16-25-35(31)41-17-40-25/h3-10,15-16,36-37H,11-14,17H2,1-2H3
InChIKey: RUQINKCOJMAFCG-UHFFFAOYSA-N
Reference
Aporphinoid alkaloids and terpenoids from Piptostigma fugax
PubChem CID: 183535
CAS: 112543-99-4
LOTUS: LTS0044742
SuperNatural Ⅲ: SN0335752
NPASS: NPC212163
COCONUT: CNP0290910
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Piptostigma | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Unonopsis | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Unonopsis spectabilis | Unonopsis | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 540.6190000000001
TPSA？: 60.98
MolLogP？: 7.648300000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine transporter | IC50 | 100000.0 | nM | 10.1021/np50124a001 |