184430-01-1
AlkaPlorer ID: AK022769
Synonym: None
IUPAC Name: N-[(1R,4R,4aS,8aR)-4-[2-(2-chloropropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]formamide
Structure
SMILES: CC1=C[C@@H]2[C@@H](CC1)[C@](C)(N=CO)CC[C@H]2C1=CCC(C(C)(C)Cl)OC1
InChI: InChI=1S/C21H32ClNO2/c1-14-5-7-18-17(11-14)16(9-10-21(18,4)23-13-24)15-6-8-19(25-12-15)20(2,3)22/h6,11,13,16-19H,5,7-10,12H2,1-4H3,(H,23,24)/t16-,17-,18+,19?,21+/m0/s1
InChIKey: SQQXPBJEMWEBJP-FBYGNRARSA-N
Reference
New Antifouling Kalihipyrans from the Marine Sponge <i>Acanthella cavernosa</i>
PubChem CID: 10761368
LOTUS: LTS0237680
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 365.94500000000016
TPSA？: 41.82000000000001
MolLogP？: 5.446600000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|