Poecillastrin B
AlkaPlorer ID: AK310799
Synonym: None
IUPAC Name: None
Structure
SMILES: COC1C=CC=CCCC=CC=CC(=O)NC(C(=O)O)C(O)C(=O)OC(C(NC(=O)C(C)C(O)CCC(C)C(O)C(C)=CC(C)(C)C(O)C(CC(C)C)NC(=O)C=CC(C)(C)C(=O)C(C)C(O)C(C)C)C(C)O)C(C)C(O)CC=C(C)C(O)C(C)C=C(C)C(O)C(C)C(O)CC2CC(C)CC1O2
InChI: InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(88)35-36-78(16,17)73(94)54(14)67(89)44(3)4)74(95)79(18,19)42-50(10)69(91)47(7)32-34-59(85)53(13)75(96)82-65(55(15)83)72-52(12)58(84)33-31-46(6)68(90)48(8)40-49(9)70(92)51(11)60(86)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(87)81-66(76(97)98)71(93)77(99)102-72/h23-31,35-36,40,42-45,47-48,51-62,65-72,74,83-86,89-93,95H,21-22,32-34,37-39,41H2,1-20H3,(H,80,88)(H,81,87)(H,82,96)(H,97,98)
InChIKey: IAQXBJYZNFARIB-UHFFFAOYSA-N
Reference
CAS: 926031-12-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Poecillastra | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1442.9179999999997
TPSA？: 388.7300000000001
MolLogP？: 7.379100000000019
Number of H-Donors: 14
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|