144587-57-5
AlkaPlorer ID: AK050675
Synonym: None
IUPAC Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyanilino]cyclohexa-2,5-diene-1,4-dione
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=CC(=O)C=C(NC4=CC=C(O)C(C[C@]5(C)[C@@H](C)CC[C@]6(C)C(C)=CCC[C@@H]56)=C4)C3=O)[C@@H](C)CC[C@]12C
InChI: InChI=1S/C42H57NO3/c1-26-11-9-13-36-39(26,5)19-17-28(3)41(36,7)24-30-21-32(15-16-35(30)45)43-34-23-33(44)22-31(38(34)46)25-42(8)29(4)18-20-40(6)27(2)12-10-14-37(40)42/h11-12,15-16,21-23,28-29,36-37,43,45H,9-10,13-14,17-20,24-25H2,1-8H3/t28-,29-,36+,37+,39+,40+,41+,42+/m0/s1
InChIKey: ROZMQHNIWNVATE-DFRNTAFPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysidea avara | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 623.9220000000003
TPSA？: 66.4
MolLogP？: 10.296399999999997
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|