Molecule

6-OH-7-OMe-scytophycin E

AlkaPlorer ID: AK004684

Synonym: None

IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4R,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-4-(hydroxymethyl)-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-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](OC)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@H](CO)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2

InChI: InChI=1S/C46H77NO13/c1-28-16-19-43(52)60-46(33(6)44(53)29(2)17-18-37(50)31(4)45(58-12)30(3)20-21-47(7)27-49)32(5)39(54-8)25-41(56-10)36(26-48)40(55-9)23-34-14-13-15-35(59-34)24-42(57-11)38(51)22-28/h13,15-16,19-22,27,29-36,38-42,44-46,48,51,53H,14,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,36+,38-,39+,40-,41-,42+,44-,45+,46-/m0/s1

InChIKey: HKSURPHWRMGDOZ-NKHCFBCYSA-N

Reference

Tolytoxin and New Scytophycins from Three Species of Scytonema

PubChem CID: 14782637

LOTUS: LTS0009505

NPASS: NPC475642

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NPAtlas: NPA028654

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: 852.116

TPSA？: 179.74999999999997

MolLogP？: 4.835300000000006

Number of H-Donors: 3

Number of H-Acceptors: 13

RingCount: 2

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