6-OH-scytophycin B
AlkaPlorer ID: AK004502
Synonym: None
IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16,17-dihydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C=C/C(C)=C/[C@H](O)[C@H](O)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@]3(CO3)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChI: InChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)38(53-8)24-40(55-10)45(25-57-45)39(54-9)23-34-14-12-13-33(58-34)22-37(50)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3/b18-15+,20-19+,27-21+/t28-,29+,30-,31-,32-,33-,34-,36-,37+,38+,39-,40-,42-,43+,44-,45-/m0/s1
InChIKey: ZTRATTIWNXCURD-YRCXACEXSA-N
Reference
Tolytoxin and New Scytophycins from Three Species of Scytonema
PubChem CID: 6449864
LOTUS: LTS0222639
SuperNatural Ⅲ: SN0479967-04
NPASS: NPC156379
{NPAtlas: NPA028652
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytonema sp. | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 836.0729999999999
TPSA？: 183.05
MolLogP？: 4.341700000000006
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus oryzae | Aspergillus oryzae | Activity | nan | None | 10.1021/np50072a021 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np50072a021 |
| Homo sapiens | KB | IC50 | 0.001 | ug.mL-1 | 10.1021/np50072a021 |
| Penicillium chrysogenum | Penicillium chrysogenum | Activity | nan | None | 10.1021/np50072a021 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np50072a021 |