149378-56-3
AlkaPlorer ID: AK053955
Synonym: '', 'Lamellarin K'
IUPAC Name: 7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-3-one
Structure
SMILES: COC1=CC(C2=C3C4=CC(OC)=C(OC)C(O)=C4CCN3C3=C2C2=CC(OC)=C(O)C=C2OC3=O)=CC=C1O
InChI: InChI=1S/C29H25NO9/c1-35-20-9-13(5-6-17(20)31)23-24-16-11-21(36-2)18(32)12-19(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
InChIKey: CVWRVFSYXZNUEG-UHFFFAOYSA-N
Reference
Lamellarin-S: a New Aromatic Metabolite From an Australian Tunicate, Didemnum sp.
PubChem CID: 9958686
CAS: 149378-56-3
LOTUS: LTS0210904
SuperNatural Ⅲ: SN0056998
COCONUT: CNP0340044
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 531.5170000000004
TPSA？: 132.75
MolLogP？: 4.789000000000005
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | H69AR | IC50 | 4300.0 | nM | 10.1016/j.ejmech.2020.113034 |
| Homo sapiens | HCT-116 | IC50 | 4300.0 | nM | 10.1021/acs.jnatprod.9b00493 |
| Homo sapiens | HuCC-A1 | IC50 | 3400.0 | nM | 10.1016/j.ejmech.2020.113034 |