(1S,2R,6R,7R,10S,11S,14S,15S)-14-[(1S)-1-(dimethylamino)ethyl]-2,15-dimethyl-5-(3-methylbut-2-enamido)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-6-yl acetate
AlkaPlorer ID: AK114137
Synonym: None
IUPAC Name: [(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1C(N=C(O)C=C(C)C)=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12
InChI: InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h14,17,19,21-25,28H,9-13,15-16H2,1-8H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,28+,29+,30+/m0/s1
InChIKey: KKMOQFHXTOCCGS-IKWBYQQOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Goniothalamus gardneri | Goniothalamus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 484.7250000000004
TPSA？: 62.13
MolLogP？: 6.5535000000000085
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|