Chartelline A; 3-Dechloro, 3-methoxy
AlkaPlorer ID: AK292184
Synonym: Methoxydechlorochartelline A
IUPAC Name: 9,19,20,21-tetrabromo-6-methoxy-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: COC1=CN2C(=O)CC23C(=NC2=CC(Br)=C(Br)C(Br)=C23)C=CC(C)(C)C2=C1NC(Br)=N2
InChI: InChI=1S/C21H16Br4N4O2/c1-20(2)5-4-12-21(14-10(26-12)6-9(22)15(23)16(14)24)7-13(30)29(21)8-11(31-3)17-18(20)28-19(25)27-17/h4-6,8H,7H2,1-3H3,(H,27,28)
InChIKey: CCPOXSFMDWNYDZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chartella papyracea | Chartella | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
| None | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
| None | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 676.0009999999999
TPSA？: 70.58
MolLogP？: 6.465800000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|