194148-99-7
AlkaPlorer ID: AK071168
Synonym: None
IUPAC Name: 3-[(4bR,10aS)-4b,7,7,10a-tetramethyl-6,6a,8,9,10,10b,11,12-octahydro-5H-naphtho[2,1-f]isoquinolin-3-yl]propanoic acid
Structure
SMILES: CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)C3=CC(CCC(=O)O)=NC=C3CCC21
InChI: InChI=1S/C24H35NO2/c1-22(2)11-5-12-24(4)19(22)10-13-23(3)18-14-17(7-9-21(26)27)25-15-16(18)6-8-20(23)24/h14-15,19-20H,5-13H2,1-4H3,(H,26,27)/t19?,20?,23-,24-/m0/s1
InChIKey: QBCQXEYQSRWFAF-WVYIWEFDSA-N
Reference
New cytotoxic sesterterpenes from the New Caledonian marine sponge Petrosaspongia nigra (Bergquist)
PubChem CID: 9999183
LOTUS: LTS0135021
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petrosaspongia nigra | Petrosaspongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 369.5490000000001
TPSA？: 50.19
MolLogP？: 5.545300000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|