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Nostocyclamide

AlkaPlorer ID: AK022552

Synonym: None

IUPAC Name: (4S,18R)-4,7-dimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

Structure

SMILES: CC1=C2N=C(O1)[C@H](C)N=C(O)C1=CSC(=N1)[C@@H](C(C)C)N=C(O)C1=CSC(=N1)CN=C2O

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InChI: InChI=1S/C20H22N6O4S2/c1-8(2)14-20-24-12(7-32-20)16(27)22-9(3)19-26-15(10(4)30-19)18(29)21-5-13-23-11(6-31-13)17(28)25-14/h6-9,14H,5H2,1-4H3,(H,21,29)(H,22,27)(H,25,28)/t9-,14+/m0/s1

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InChIKey: CRISVSOALHAQCE-LKFCYVNXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Katsuwonus pelamis Katsuwonus Scombridae Scombriformes Actinopteri Chordata Metazoa Eukaryota
Cladrastis sikokiana Cladrastis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Neurolaena lobata Neurolaena Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Peperomia clusiifolia Peperomia Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Grevillea robusta Grevillea Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Smilax moranensis Smilax Smilacaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Eleutherococcus sieboldianus Eleutherococcus Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vaccinium arctostaphylos Vaccinium Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces pilosus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Eriobotrya deflexa Eriobotrya Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasius meridionalis Lasius Formicidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Meyerozyma guilliermondii Meyerozyma Debaryomycetaceae Saccharomycetales Saccharomycetes Ascomycota Fungi Eukaryota
Ajuga nipponensis Ajuga Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nostoc sp. Nostoc Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Anneissia japonica Anneissia Comatulidae Comatulida Crinoidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 474.5680000000002

TPSA？: 149.58

MolLogP？: 4.481920000000002

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 57411.65 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 47206.3 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 44874.54 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 75683.29 nM None
Homo sapiens DU-145 GI50 79250.13 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 43651.58 nM None
Homo sapiens HCT-116 GI50 45814.19 nM None
Homo sapiens HCT-15 GI50 52844.53 nM None
Homo sapiens HOP-62 GI50 85113.8 nM None
Homo sapiens HOP-92 GI50 61094.2 nM None
Homo sapiens Hs-578T GI50 75335.56 nM None
Homo sapiens HT-29 GI50 65012.97 nM None
Homo sapiens IGROV-1 GI50 29853.83 nM None
Homo sapiens K562 GI50 54827.7 nM None
Homo sapiens KM12 GI50 61376.2 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 82224.26 nM None
Homo sapiens MDA-MB-231 GI50 9571.94 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 81658.24 nM None
Homo sapiens NCI/ADR-RES GI50 30060.76 nM None
Homo sapiens NCI-H226 GI50 42854.85 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 95499.26 nM None
Homo sapiens NCI-H460 GI50 66680.68 nM None
Homo sapiens NCI-H522 GI50 26730.06 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 35237.09 nM None
Homo sapiens PC-3 GI50 40271.7 nM None
Homo sapiens RPMI-8226 GI50 14321.88 nM None
Homo sapiens RXF 393 GI50 8336.81 nM None
Homo sapiens SF-268 GI50 85506.67 nM None
Homo sapiens SF-295 GI50 18365.38 nM None
Homo sapiens SF-539 GI50 42266.86 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 23067.47 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 58479.01 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 95719.41 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 28510.18 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 81470.43 nM None
Homo sapiens UO-31 GI50 37239.17 nM None

Metabolism Information