Grossularine 1; N,N-Di-de-Me
AlkaPlorer ID: AK065916
Synonym: N,N-Didemethylgrossularine 1
IUPAC Name: (4-amino-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl)-(1H-indol-3-yl)methanone
Structure
SMILES: N=C1NC2=C(C(=O)C3=CNC4=CC=CC=C34)NC3=NC4=CC=CC=C4C3=C2N1
InChI: InChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27)
InChIKey: WNDIVVRKTNRQAS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polycarpa aurata | Polycarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 366.3840000000001
TPSA？: 116.97
MolLogP？: 3.668870000000002
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|