Bastadin 24
AlkaPlorer ID: AK322149
Synonym: None
IUPAC Name: 5,16,21,32,33,36-hexabromo-4,13,20-trihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione
Structure
SMILES: O=C1NCCC2=CC(Br)=C(OC3=CC(=CC(Br)=C3O)CCNC(=O)C(=NO)C(O)C3=CC(Br)=C(OC4=C(O)C(Br)=CC(=C4)CC1=NO)C(Br)=C3)C(Br)=C2
InChI: InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)
InChIKey: MHAGECXZXFMEGD-UHFFFAOYSA-N
Reference
Anthraquinones, pre-anthraquinones and isoeleutherol in the roots of Aloe species
PubChem CID: 163006327
CAS: 1016170-12-9
COCONUT: CNP0280719.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella quadrangulata | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1114.025
TPSA？: 202.53
MolLogP？: 8.524900000000004
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|