90162-26-8
AlkaPlorer ID: AK110729
Synonym: None
IUPAC Name: 7-[(E)-5-[(1S,2R,4aS,8aR)-4a-hydroxy-1,2,5,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl]-2,3-dimethylpurin-6-one
Structure
SMILES: C/C(=C\CN1C=NC2=C1C(=O)N=C(C)N2C)CC[C@@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1CCCC2(C)C
InChI: InChI=1S/C27H42N4O2/c1-18(12-16-31-17-28-23-22(31)24(32)29-20(3)30(23)7)10-14-26(6)19(2)11-15-27(33)21(26)9-8-13-25(27,4)5/h12,17,19,21,33H,8-11,13-16H2,1-7H3/b18-12+/t19-,21-,26+,27+/m1/s1
InChIKey: OXCDHWORFBVURJ-QGHDINLWSA-N
Reference
Structure of the diterpene portion of a novel base from the sponge Agelas mauritiana
PubChem CID: 15767704
LOTUS: LTS0028665
SuperNatural Ⅲ: SN0277527-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 454.65900000000033
TPSA？: 72.94
MolLogP？: 5.1585200000000055
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|