Agelasimine A; 2',3'-Dihydro, 3'N-Me, N4'-de-Me
AlkaPlorer ID: AK283529
Synonym: Agelasimine B
IUPAC Name: 8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
Structure
SMILES: C/C(=C\CN1C=NC2=C1C(=N)N(C)CN2C)CCC1(C)C(C)CCC2(O)C1CCCC2(C)C
InChI: InChI=1S/C27H45N5O/c1-19(12-16-32-17-29-24-22(32)23(28)30(6)18-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17,20-21,28,33H,8-11,13-16,18H2,1-7H3/b19-12+,28-23?
InChIKey: UMYDEMPHXCZYBB-VRAKWYDISA-N
Reference
CAS: 114216-87-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 455.6910000000004
TPSA？: 68.38000000000001
MolLogP？: 5.267670000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|