Isoptilocaulin
AlkaPlorer ID: AK022143
Synonym: '', '78777-03-4'
IUPAC Name: (1R,4S,8S,12R)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-6,9-dien-6-amine
Structure
SMILES: CCCCC1=C(C)C[C@H]2CC[C@@H]3NC(=N)N[C@H]1[C@H]23
InChI: InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h10,12-14H,3-8H2,1-2H3,(H3,16,17,18)/t10-,12+,13-,14-/m1/s1
InChIKey: OJHZDBGRMGYWJG-YXCITZCRSA-N
Reference
Structure and chemical properties of ptilomycalin A
PubChem CID: 11593975
LOTUS: LTS0013171
SuperNatural Ⅲ: SN0266991-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ptilocaulis spiculifer | Ptilocaulis | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 247.386
TPSA？: 47.91
MolLogP？: 2.78777
Number of H-Donors: 3
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|