Ecteinascidin 597
AlkaPlorer ID: AK297278
Synonym: None
IUPAC Name: (23-amino-5,12,16-trihydroxy-6,17-dimethoxy-7,18,27-trimethyl-24-oxo-25-oxa-21-thia-13,27-diazahexacyclo[12.6.6.13,11.02,13.04,9.015,20]heptacosa-4(9),5,7,15(20),16,18-hexaen-19-yl) acetate
Structure
SMILES: COC1=C(C)C=C2CC3C(O)N4C5COC(=O)C(N)CSC(C6=C(OC(C)=O)C(C)=C(OC)C(O)=C65)C4C(C2=C1O)N3C
InChI: InChI=1S/C30H37N3O9S/c1-11-7-14-8-16-29(37)33-17-9-41-30(38)15(31)10-43-28(22(33)21(32(16)4)18(14)23(35)25(11)39-5)20-19(17)24(36)27(40-6)12(2)26(20)42-13(3)34/h7,15-17,21-22,28-29,35-37H,8-10,31H2,1-6H3
InChIKey: IDGGTQFUYFZADM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ecteinascidia turbinata | Ecteinascidia | Perophoridae | Phlebobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 615.7050000000003
TPSA？: 164.25000000000003
MolLogP？: 1.9706399999999995
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|