12-Hydroxy-15,17-scalaradiene-24,25-lactam; 12β-form
AlkaPlorer ID: AK302070
Synonym: Petrosaspongiolactam A
IUPAC Name: 13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,2,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e]isoindol-3-one
Structure
SMILES: CC1(C)CCCC2(C)C1CCC1(C)C2CC(O)C2(C)C3=C(C=CC12)C(=O)NC3
InChI: InChI=1S/C25H37NO2/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-26-21(15)28)25(18,5)20(27)13-19(23)24/h7-8,17-20,27H,6,9-14H2,1-5H3,(H,26,28)
InChIKey: VBGJQOIQMQDGJB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Petrosaspongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 383.57600000000014
TPSA？: 49.33
MolLogP？: 4.618600000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|