120853-13-6
AlkaPlorer ID: AK032132
Synonym: None
IUPAC Name: (1S,4S,7R,8S,11R,15S,18R)-18-benzyl-7,11-dimethyl-4-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@H]2CSC(=N2)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H]2CSC(=N2)[C@@H](C)N=C(O)[C@H]2N=C1O[C@@H]2C
InChI: InChI=1S/C27H34N6O4S2/c1-13(2)20-25-33-21(15(4)37-25)24(36)28-14(3)26-30-18(11-38-26)22(34)29-17(10-16-8-6-5-7-9-16)27-31-19(12-39-27)23(35)32-20/h5-9,13-15,17-21H,10-12H2,1-4H3,(H,28,36)(H,29,34)(H,32,35)/t14-,15-,17-,18-,19-,20+,21+/m1/s1
InChIKey: WNSIWZVQPOAVNY-RCCKSBRTSA-N
Reference
Novel cytotoxic compounds from the ascidian Lissoclinum bistratum
PubChem CID: 163043297
LOTUS: LTS0095657
SuperNatural Ⅲ: SN0415172-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 570.7410000000001
TPSA？: 144.08
MolLogP？: 4.107500000000003
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|