221160-84-5
AlkaPlorer ID: AK024682
Synonym: '', 'Iheyamine B'
IUPAC Name: 1-[(12S,13R)-7-methoxy-12-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4(9),5,7,10,15,17,19-nonaen-13-yl]propan-2-one
Structure
SMILES: COC1=CC=C2N=C3C(=N[C@@H](CC(C)=O)[C@H](CC(C)=O)C4=C3NC3=CC=CC=C43)C2=C1
InChI: InChI=1S/C25H23N3O3/c1-13(29)10-17-21(11-14(2)30)28-23-18-12-15(31-3)8-9-20(18)27-25(23)24-22(17)16-6-4-5-7-19(16)26-24/h4-9,12,17,21,26H,10-11H2,1-3H3/t17-,21-/m0/s1
InChIKey: RQZOWBVRFRUUKC-UWJYYQICSA-N
Reference
Iheyamines, new cytotoxic bisindole pigments from a colonial ascidian, Polycitorella sp.
PubChem CID: 163028575
LOTUS: LTS0134753
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 413.4770000000001
TPSA？: 83.88
MolLogP？: 4.524000000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|