96845-55-5
AlkaPlorer ID: AK112532
Synonym: '', 'Chartelline A'
IUPAC Name: (1S,5E,13Z)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one
Structure
SMILES: CC1(C)/C=C\C2=NC3=CC(Br)=C(Br)C(Br)=C3[C@@]23CC(=O)N3/C=C(/Cl)C2=C1NC(Br)=N2
InChI: InChI=1S/C20H13Br4ClN4O/c1-19(2)4-3-11-20(13-10(26-11)5-8(21)14(22)15(13)23)6-12(30)29(20)7-9(25)16-17(19)28-18(24)27-16/h3-5,7H,6H2,1-2H3,(H,27,28)/b4-3-,9-7+/t20-/m1/s1
InChIKey: YINYCEBRSUOYPR-ZJHGIGFHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chartella papyracea | Chartella | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 680.42
TPSA？: 61.35
MolLogP？: 7.058200000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|