Poecillastrin B; 48-Demethyl
AlkaPlorer ID: AK310801
Synonym: Poecillastrin C
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(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/C78H129N3O20/c1-42(2)36-57(79-64(87)34-35-78(17,18)74(94)54(15)67(88)43(3)4)71(92)50(11)40-48(9)69(90)46(7)31-33-59(84)53(14)75(95)81-65(55(16)82)73-52(13)58(83)32-30-45(6)68(89)47(8)39-49(10)70(91)51(12)60(85)41-56-37-44(5)38-62(100-56)61(99-19)28-26-24-22-20-21-23-25-27-29-63(86)80-66(76(96)97)72(93)77(98)101-73/h22-30,34-35,39-40,42-44,46-47,50-62,65-73,82-85,88-93H,20-21,31-33,36-38,41H2,1-19H3,(H,79,87)(H,80,86)(H,81,95)(H,96,97)
InChIKey: YHCPBEHZHALNJB-UHFFFAOYSA-N
Reference
CAS: 926031-13-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Poecillastra | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1428.8909999999998
TPSA？: 388.7300000000001
MolLogP？: 6.989000000000018
Number of H-Donors: 14
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|