Dapholdhamine A
AlkaPlorer ID: AK086958
Synonym: ''
IUPAC Name: 3-[(1S,4R,5R,8R,9R,12S,13S,14S,18S)-8-hydroxy-5,9-dimethyl-11-azahexacyclo[9.6.1.01,14.04,18.05,13.08,12]octadecan-13-yl]propanoic acid
Structure
SMILES: C[C@@H]1CN2[C@H]3[C@@H]4CC[C@]35CCC[C@@H]5[C@]3(CCC(=O)O)[C@H]2[C@@]1(O)CC[C@]43C
InChI: InChI=1S/C22H33NO3/c1-13-12-23-17-14-5-8-20(17)7-3-4-15(20)21(9-6-16(24)25)18(23)22(13,26)11-10-19(14,21)2/h13-15,17-18,26H,3-12H2,1-2H3,(H,24,25)/t13-,14+,15+,17+,18+,19-,20+,21-,22-/m1/s1
InChIKey: MUGPALRHVRSORL-RQJDKPBXSA-N
Reference
Dapholdhamines A−D, Alkaloids from <i>Daphniphyllum oldhami</i>
PubChem CID: 163105098
LOTUS: LTS0080589
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum oldhamii | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51000000000005
TPSA？: 60.77000000000001
MolLogP？: 3.281400000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|