Diploclidine
AlkaPlorer ID: AK144915
Synonym: None
IUPAC Name: (1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-one
Structure
SMILES: CC1=C(CCC(C)(C)O)N=C2C[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@@]3(C)CCC1=C23
InChI: InChI=1S/C27H37NO4/c1-14-15-6-9-26(4)17-11-21(29)18-12-22(30)23(31)13-27(18,5)16(17)10-20(24(15)26)28-19(14)7-8-25(2,3)32/h11,16,18,22-23,30-32H,6-10,12-13H2,1-5H3/t16-,18-,22+,23-,26+,27+/m0/s1
InChIKey: ULPGFWCVEISNKT-VNLCIVOGSA-N
Reference
A pyridine ring-containing ecdysteroid from Diploclisia glaucescens
PubChem CID: 101262935
LOTUS: LTS0096504
SuperNatural Ⅲ: SN0373673-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diploclisia glaucescens | Diploclisia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.5960000000003
TPSA？: 90.65
MolLogP？: 3.116920000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|