Blacknine
AlkaPlorer ID: AK184771
Synonym: 'Delmenzine', 'O1-Demethyldelelatine'
IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,19,21-triol
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)[C@@H]14
InChI: InChI=1S/C23H35NO6/c1-4-24-9-20(2)6-5-14(25)22-12-7-11-13(28-3)8-21(15(12)16(11)26)23(19(22)24,30-10-29-21)18(27)17(20)22/h11-19,25-27H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19+,20+,21-,22+,23-/m1/s1
InChIKey: ZHIUGHDKWOISDE-WBBRWVNZSA-N
Reference
New C19- and C18-Diterpenoid Alkaloids from Delphinium anthriscifolium var. savatieri
PubChem CID: 101917137
LOTUS: LTS0082981
SuperNatural Ⅲ: SN0470412-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium yunnanense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.5340000000002
TPSA？: 91.62000000000002
MolLogP？: 0.3560000000000017
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|