Ecteinascidin 770
AlkaPlorer ID: AK169785
Synonym: ''
IUPAC Name: [(1R,2R,3R,11S,12S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,12,21,30-tetramethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
Structure
SMILES: COC1=CC2=C(C=C1O)CCN[C@]21CS[C@@H]2C3=C(OC(C)=O)C(C)=C4OCOC4=C3[C@H](COC1=O)N1[C@@H]2[C@H]2C3=C(O)C(OC)=C(C)C=C3C[C@@H]([C@@H]1C)N2C
InChI: InChI=1S/C40H45N3O10S/c1-17-10-22-11-24-19(3)43-25-14-50-39(47)40(23-13-27(48-6)26(45)12-21(23)8-9-41-40)15-54-38(32(43)31(42(24)5)28(22)33(46)34(17)49-7)30-29(25)37-36(51-16-52-37)18(2)35(30)53-20(4)44/h10,12-13,19,24-25,31-32,38,41,45-46H,8-9,11,14-16H2,1-7H3/t19-,24-,25-,31+,32+,38+,40+/m0/s1
InChIKey: IDORIPOXLZVBMT-AEVXLQICSA-N
Reference
Ecteinascidins 770 and 786 from the Thai Tunicate <i>Ecteinascidia thurstoni</i>
PubChem CID: 163104395
LOTUS: LTS0070592
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ecteinascidia thurstoni | Ecteinascidia | Perophoridae | Phlebobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 759.878
TPSA？: 148.49
MolLogP？: 4.4833400000000045
Number of H-Donors: 3
Number of H-Acceptors: 14
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|