Varamine A
AlkaPlorer ID: AK033598
Synonym: None
IUPAC Name: N-[2-(12-methoxy-11-methylsulfanyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-yl)ethyl]propanamide
Structure
SMILES: CCC(O)=NCCC1=C2NC3=CC=CC=C3C3=CC=NC(=C32)C(OC)=C1SC
InChI: InChI=1S/C22H23N3O2S/c1-4-17(26)23-11-10-15-19-18-14(13-7-5-6-8-16(13)25-19)9-12-24-20(18)21(27-2)22(15)28-3/h5-9,12,25H,4,10-11H2,1-3H3,(H,23,26)
InChIKey: ATGZYGBQIFBZRA-UHFFFAOYSA-N
Reference
Varamines A and B, new cytotoxic thioalkaloids from Lissoclinum vareau
PubChem CID: 180091
CAS: 122093-14-5
LOTUS: LTS0082024
COCONUT: CNP0134300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum vareau | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 393.51200000000017
TPSA？: 66.74000000000001
MolLogP？: 5.598300000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|