Ambiguine
AlkaPlorer ID: AK051397
Synonym: ''
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-9-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C28H45NO8/c1-8-29-13-25(14-32-3)10-9-19(34-5)27-17-11-16-18(33-4)12-26(36-7,20(17)21(16)37-15(2)30)28(31,24(27)29)23(35-6)22(25)27/h16-24,31H,8-14H2,1-7H3/t16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,26-,27+,28-/m1/s1
InChIKey: YQXKBDFBVHGSOM-BWOIHKOFSA-N
Reference
Ambiguine and Dihydroajaconine: Two New Diterpenoid Alkaloids from Consolida ambigua
PubChem CID: 162885761
LOTUS: LTS0109614
SuperNatural Ⅲ: SN0457892-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Consolida ajacis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.6670000000004
TPSA？: 95.92000000000002
MolLogP？: 1.4959000000000031
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|