Polycarpamine B
AlkaPlorer ID: AK039059
Synonym: 5-(Dimethylamino)-3,4-dihydro-6,7-dimethoxy-8-(methyldithio)-1H-2-benzothiopyran-1-one
IUPAC Name: 5-(dimethylamino)-6,7-dimethoxy-8-(methyldisulfanyl)-3,4-dihydroisothiochromen-1-one
Structure
SMILES: COC1=C(OC)C(N(C)C)=C2CCSC(=O)C2=C1SSC
InChI: InChI=1S/C14H19NO3S3/c1-15(2)10-8-6-7-20-14(16)9(8)13(21-19-5)12(18-4)11(10)17-3/h6-7H2,1-5H3
InChIKey: BAKJMSAZZKUWJW-UHFFFAOYSA-N
Reference
Polycarpamines A-E, antifungal disulfides from the marine ascidian polycarpa auzata.
PubChem CID: 14759718
LOTUS: LTS0266249
SuperNatural Ⅲ: SN0020241
COCONUT: CNP0147950
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polycarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 345.511
TPSA？: 38.77
MolLogP？: 3.5694000000000026
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|