(-)-8'-oxo-agelasine D
AlkaPlorer ID: AK112549
Synonym: None
IUPAC Name: 7-[5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-6-amino-9-methylpurin-8-one
Structure
SMILES: C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC(C)=CCN1C(=O)N(C)C2=NC=NC(N)=C21
InChI: InChI=1S/C26H39N5O/c1-17(12-15-31-21-22(27)28-16-29-23(21)30(6)24(31)32)8-10-19-18(2)9-11-20-25(3,4)13-7-14-26(19,20)5/h12,16,19-20H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/t19-,20-,26+/m1/s1
InChIKey: ALKCILAUEYWKPP-KYTVRQNUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hosta plantaginea | Hosta | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Euphorbia salicifolia | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 437.6320000000002
TPSA？: 78.73
MolLogP？: 5.237500000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|