(1'R,3R,5'S,6R,11'R,12'R)-6-isopropyl-6-methoxy-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylic acid
AlkaPlorer ID: AK030400
Synonym: None
IUPAC Name: (1S,2'S,5R,11S,12S,15R)-2'-methoxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylic acid
Structure
SMILES: CO[C@@]1(C(C)C)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1
InChI: InChI=1S/C24H37NO4/c1-15(2)24(28-4)10-9-22(14-29-24)17-7-5-16-6-8-18-19(21(26)27)11-23(22,20(16)18)13-25(3)12-17/h15,17-19H,5-14H2,1-4H3,(H,26,27)/t17-,18-,19-,22+,23-,24-/m0/s1
InChIKey: CJTKUZUOJCPZPE-HNENZMAWSA-N
Reference
Alkaloids from Fruits of <i>Daphniphyllum oldhamii</i>
PubChem CID: 163080290
LOTUS: LTS0248688
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum oldhamii | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.5630000000002
TPSA？: 59.00000000000001
MolLogP？: 3.9348000000000014
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|