117694-97-0
AlkaPlorer ID: AK029347
Synonym: 'Isosegoline A', ''
IUPAC Name: (16R,20R,21S)-13-methoxy-20,21-dimethyl-1,11,18-triazahexacyclo[10.9.2.02,7.08,23.015,22.016,20]tricosa-2,4,6,8(23),9,11,13,15(22)-octaene-17,19-dione
Structure
SMILES: COC1=CC2=C3C4=C(C=CN=C14)C1=CC=CC=C1N3[C@@H](C)[C@]1(C)C(=O)N=C(O)[C@H]21
InChI: InChI=1S/C23H19N3O3/c1-11-23(2)18(21(27)25-22(23)28)14-10-16(29-3)19-17-13(8-9-24-19)12-6-4-5-7-15(12)26(11)20(14)17/h4-11,18H,1-3H3,(H,25,27,28)/t11-,18-,23-/m0/s1
InChIKey: HSCRWFYMNNKDLC-ZIKCNTICSA-N
Reference
Alkaloid metabolites of the marine tunicate .: Segoline a, isosegoline a and nor-segoline.
PubChem CID: 14447875
LOTUS: LTS0029610
SuperNatural Ⅲ: SN0133952-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Clavelinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 385.4230000000002
TPSA？: 75.02
MolLogP？: 4.350600000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|