(1R,2R,4aS,5S,8S,8aS)-2,5-dimethyl-8-[(2R,5S)-2-methyl-5-[2-(methylideneamino)propan-2-yl]oxolan-2-yl]-1,5-bis(methylideneamino)-octahydronaphthalen-2-ol
AlkaPlorer ID: AK250164
Synonym: None
IUPAC Name: (1R,2R,4aS,5S,8S,8aS)-2,5-dimethyl-1,5-bis(methylideneamino)-8-[(2R,5S)-2-methyl-5-[2-(methylideneamino)propan-2-yl]oxolan-2-yl]-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
Structure
SMILES: C=N[C@@H]1[C@@H]2[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)N=C)O3)CC[C@](C)(N=C)[C@H]2CC[C@@]1(C)O
InChI: InChI=1S/C23H39N3O2/c1-20(2,25-7)17-11-14-23(5,28-17)16-9-12-21(3,26-8)15-10-13-22(4,27)19(24-6)18(15)16/h15-19,27H,6-14H2,1-5H3/t15-,16-,17-,18-,19+,21-,22+,23+/m0/s1
InChIKey: WYVCWZIECDNJPV-DKNXKHEBSA-N
Reference
Kalihinols from two Acanthella cavernosa sponges: inhibitors of bacterial folate biosynthesis
PubChem CID: 162876895
LOTUS: LTS0146061
SuperNatural Ⅲ: SN0423700-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.5840000000002
TPSA？: 66.54
MolLogP？: 4.119000000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|