Delphicrispuline
AlkaPlorer ID: AK068822
Synonym: ''
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-8-hydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
Structure
SMILES: CCN1C[C@]2(OC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14
InChI: InChI=1S/C30H42N2O6/c1-5-32-15-28(38-27(33)16-8-6-7-9-20(16)31)11-10-23(36-3)30-18-12-17-21(35-2)14-29(34,24(18)25(17)37-4)19(26(30)32)13-22(28)30/h6-9,17-19,21-26,34H,5,10-15,31H2,1-4H3/t17-,18-,19+,21+,22-,23+,24-,25+,26-,28-,29+,30-/m1/s1
InChIKey: VNBIFAPROMMMBX-ODDZBGBGSA-N
Reference
A New Diterpenoid Alkaloid from the Roots of a White‐Flowering <i>Aconitum orientale</i> Sample
PubChem CID: 100959353
LOTUS: LTS0161090
SuperNatural Ⅲ: SN0394713-04
NPASS: NPC116734
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Mundulea chapelieri | Mundulea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 526.6740000000003
TPSA？: 103.48000000000002
MolLogP？: 2.730500000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|