Natural Product: NPC262216

Natural Product ID:  NPC262216
Common Name:   Cytochalasin Q
IUPAC Name:  
Synonyms:   Cytochalasin Q
Molecular Formula:   C30H37NO6
Standard InCHIKey:  XHEQULXTQLICFN-QDNKZWAGSA-N
Standard InCHI:  InChI=1S/C30H37NO6/c1-17-10-9-13-21-26-29(5,37-26)18(2)24-22(16-20-11-7-6-8-12-20)31-27(34)30(21,24)23(36-19(3)32)14-15-28(4,35)25(17)33/h6-9,11-15,17-18,21-24,26,35H,10,16H2,1-5H3,(H,31,34)/b13-9+,15-14+/t17-,18-,21-,22-,23+,24-,26-,28+,29+,30+/m0/s1
Canonical SMILES:  CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@H](C/C=C/[C@@H]2[C@]31C(=N[C@H]([C@@H]3[C@H](C)[C@@]1([C@H]2O1)C)Cc1ccccc1)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO6003 Halorosellinia oceanica Species Xylariaceae Eukaryota PMID[11454459]
NPO33265 hirsutella sp. Species Ophiocordycipitaceae Eukaryota PMID[16124786]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 3 ug/ml 14518939
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 17 ug/ml DrugMatrix in vitro pharmacology data
NPT929 Cell Line BC1 cell line IC50 = 1 ug/ml DrugMatrix in vitro pharmacology data
NPT168 Cell Line P388 Mus musculus IC50 = 2400 nM 25466198

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC262216 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9556 High Similarity NPC239770
0.9185 High Similarity NPC90693
0.9185 High Similarity NPC64897
0.9037 High Similarity NPC42423
0.8767 High Similarity NPC4108
0.8759 High Similarity NPC201692
0.875 High Similarity NPC173934
0.8681 High Similarity NPC31171
0.8681 High Similarity NPC237240
0.8676 High Similarity NPC71271
0.8643 High Similarity NPC175870
0.85 High Similarity NPC228511
0.8456 Intermediate Similarity NPC472414
0.844 Intermediate Similarity NPC113325
0.844 Intermediate Similarity NPC279045
0.8403 Intermediate Similarity NPC111586
0.8403 Intermediate Similarity NPC108852
0.8403 Intermediate Similarity NPC261709
0.8356 Intermediate Similarity NPC49565
0.8309 Intermediate Similarity NPC472415
0.8205 Intermediate Similarity NPC15506
0.8156 Intermediate Similarity NPC183722
0.8143 Intermediate Similarity NPC295478
0.8065 Intermediate Similarity NPC235460
0.8013 Intermediate Similarity NPC156348
0.8 Intermediate Similarity NPC278097
0.7935 Intermediate Similarity NPC217801
0.7877 Intermediate Similarity NPC208725
0.7853 Intermediate Similarity NPC477115
0.7639 Intermediate Similarity NPC472413
0.7517 Intermediate Similarity NPC116057
0.75 Intermediate Similarity NPC470274
0.7484 Intermediate Similarity NPC94602
0.7405 Intermediate Similarity NPC275839
0.7391 Intermediate Similarity NPC473869
0.7355 Intermediate Similarity NPC260194
0.7343 Intermediate Similarity NPC160493
0.7343 Intermediate Similarity NPC473889
0.7342 Intermediate Similarity NPC472761
0.7337 Intermediate Similarity NPC203005
0.7329 Intermediate Similarity NPC5486
0.7292 Intermediate Similarity NPC473870
0.7292 Intermediate Similarity NPC473871
0.7286 Intermediate Similarity NPC470820
0.7273 Intermediate Similarity NPC475128
0.726 Intermediate Similarity NPC470816
0.7251 Intermediate Similarity NPC475345
0.7248 Intermediate Similarity NPC476977
0.7241 Intermediate Similarity NPC77691
0.7241 Intermediate Similarity NPC307139
0.7234 Intermediate Similarity NPC84129
0.7209 Intermediate Similarity NPC475649
0.7203 Intermediate Similarity NPC190663
0.72 Intermediate Similarity NPC476976
0.7197 Intermediate Similarity NPC473541
0.7183 Intermediate Similarity NPC473860
0.7172 Intermediate Similarity NPC273336
0.7172 Intermediate Similarity NPC182333
0.7162 Intermediate Similarity NPC230331
0.716 Intermediate Similarity NPC120667
0.716 Intermediate Similarity NPC278272
0.7152 Intermediate Similarity NPC476757
0.7143 Intermediate Similarity NPC470158
0.7143 Intermediate Similarity NPC476970
0.7143 Intermediate Similarity NPC475933
0.7143 Intermediate Similarity NPC45821
0.7135 Intermediate Similarity NPC476113
0.7134 Intermediate Similarity NPC328824
0.7133 Intermediate Similarity NPC472418
0.7123 Intermediate Similarity NPC472373
0.7123 Intermediate Similarity NPC470815
0.7119 Intermediate Similarity NPC317882
0.7119 Intermediate Similarity NPC475336
0.7119 Intermediate Similarity NPC453583
0.7119 Intermediate Similarity NPC473300
0.7119 Intermediate Similarity NPC471754
0.7118 Intermediate Similarity NPC211713
0.7118 Intermediate Similarity NPC88378
0.7115 Intermediate Similarity NPC140021
0.7115 Intermediate Similarity NPC183540
0.7115 Intermediate Similarity NPC473922
0.7114 Intermediate Similarity NPC93632
0.7102 Intermediate Similarity NPC327699
0.7095 Intermediate Similarity NPC476972
0.7095 Intermediate Similarity NPC476971
0.7086 Intermediate Similarity NPC80599
0.7086 Intermediate Similarity NPC238370
0.7083 Intermediate Similarity NPC80150
0.7079 Intermediate Similarity NPC67246
0.7079 Intermediate Similarity NPC33372
0.7078 Intermediate Similarity NPC184109
0.7075 Intermediate Similarity NPC284022
0.7075 Intermediate Similarity NPC471758
0.7075 Intermediate Similarity NPC473083
0.7067 Intermediate Similarity NPC472388
0.7055 Intermediate Similarity NPC207675
0.7055 Intermediate Similarity NPC12016
0.7055 Intermediate Similarity NPC212699
0.7047 Intermediate Similarity NPC58061
0.7039 Intermediate Similarity NPC15850
0.7034 Intermediate Similarity NPC311175
0.7034 Intermediate Similarity NPC37641
0.7027 Intermediate Similarity NPC473082
0.7025 Intermediate Similarity NPC80895
0.7025 Intermediate Similarity NPC471912
0.7025 Intermediate Similarity NPC475578
0.7022 Intermediate Similarity NPC275170
0.7022 Intermediate Similarity NPC206211
0.7022 Intermediate Similarity NPC306001
0.7022 Intermediate Similarity NPC324251
0.7022 Intermediate Similarity NPC473400
0.7022 Intermediate Similarity NPC471629
0.702 Intermediate Similarity NPC246079
0.7013 Intermediate Similarity NPC472551
0.7013 Intermediate Similarity NPC472545
0.7006 Intermediate Similarity NPC472546
0.7 Intermediate Similarity NPC225103
0.7 Intermediate Similarity NPC273814
0.6987 Remote Similarity NPC472547
0.6986 Remote Similarity NPC475328
0.6986 Remote Similarity NPC70973
0.6981 Remote Similarity NPC471162
0.6981 Remote Similarity NPC277053
0.6981 Remote Similarity NPC301946
0.698 Remote Similarity NPC253681
0.6974 Remote Similarity NPC209851
0.6968 Remote Similarity NPC39549
0.6962 Remote Similarity NPC477894
0.6961 Remote Similarity NPC242662
0.6961 Remote Similarity NPC215892
0.6961 Remote Similarity NPC191193
0.6961 Remote Similarity NPC321072
0.6954 Remote Similarity NPC147561
0.6954 Remote Similarity NPC49272
0.6954 Remote Similarity NPC473443
0.6944 Remote Similarity NPC310467
0.6939 Remote Similarity NPC108286
0.6933 Remote Similarity NPC195224
0.6933 Remote Similarity NPC138641
0.6933 Remote Similarity NPC283875
0.6933 Remote Similarity NPC233581
0.6933 Remote Similarity NPC145649
0.6933 Remote Similarity NPC469648
0.6933 Remote Similarity NPC22571
0.6933 Remote Similarity NPC469647
0.6923 Remote Similarity NPC208553
0.6923 Remote Similarity NPC181964
0.6923 Remote Similarity NPC471606
0.6918 Remote Similarity NPC44649
0.6918 Remote Similarity NPC300827
0.6918 Remote Similarity NPC473439
0.6914 Remote Similarity NPC125033
0.691 Remote Similarity NPC471395
0.6903 Remote Similarity NPC477557
0.6897 Remote Similarity NPC470814
0.6894 Remote Similarity NPC132652
0.6892 Remote Similarity NPC469742
0.6885 Remote Similarity NPC473490
0.6885 Remote Similarity NPC473558
0.6883 Remote Similarity NPC48929
0.6879 Remote Similarity NPC90614
0.6879 Remote Similarity NPC97667
0.6879 Remote Similarity NPC100913
0.6879 Remote Similarity NPC171207
0.6879 Remote Similarity NPC275592
0.6879 Remote Similarity NPC469360
0.6875 Remote Similarity NPC313414
0.6875 Remote Similarity NPC169328
0.6875 Remote Similarity NPC127857
0.6875 Remote Similarity NPC472556
0.6872 Remote Similarity NPC471623
0.6859 Remote Similarity NPC262324
0.6859 Remote Similarity NPC243893
0.6855 Remote Similarity NPC91703
0.6853 Remote Similarity NPC188010
0.6852 Remote Similarity NPC473215
0.6849 Remote Similarity NPC477061
0.6849 Remote Similarity NPC45777
0.6848 Remote Similarity NPC471176
0.6846 Remote Similarity NPC114927
0.6839 Remote Similarity NPC471864
0.6835 Remote Similarity NPC87448
0.6835 Remote Similarity NPC27377
0.6835 Remote Similarity NPC97947
0.6835 Remote Similarity NPC224491
0.6835 Remote Similarity NPC16912
0.6835 Remote Similarity NPC118080
0.6835 Remote Similarity NPC472576
0.6835 Remote Similarity NPC291599
0.6835 Remote Similarity NPC41481
0.6828 Remote Similarity NPC254233
0.6828 Remote Similarity NPC89324
0.6815 Remote Similarity NPC197921
0.6815 Remote Similarity NPC9905
0.6811 Remote Similarity NPC472375
0.6811 Remote Similarity NPC472392
0.681 Remote Similarity NPC473214
0.681 Remote Similarity NPC470245
0.6807 Remote Similarity NPC11410
0.6806 Remote Similarity NPC105141

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC262216 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8681 High Similarity NPD7274 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5981 Approved
0.7045 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6966 Remote Similarity NPD8361 Approved
0.6966 Remote Similarity NPD8360 Approved
0.6932 Remote Similarity NPD8407 Phase 2
0.6923 Remote Similarity NPD8485 Approved
0.6882 Remote Similarity NPD7315 Approved
0.6872 Remote Similarity NPD8435 Approved
0.6857 Remote Similarity NPD8368 Discontinued
0.6857 Remote Similarity NPD3642 Approved
0.6857 Remote Similarity NPD3643 Approved
0.6857 Remote Similarity NPD3644 Approved
0.6855 Remote Similarity NPD2575 Approved
0.6818 Remote Similarity NPD8265 Approved
0.6811 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5618 Discontinued
0.6753 Remote Similarity NPD2571 Approved
0.6753 Remote Similarity NPD3614 Approved
0.6753 Remote Similarity NPD2573 Approved
0.6753 Remote Similarity NPD3089 Approved
0.6753 Remote Similarity NPD3615 Approved
0.6753 Remote Similarity NPD2574 Discontinued
0.6753 Remote Similarity NPD2570 Approved
0.6753 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6753 Remote Similarity NPD4746 Phase 3
0.6753 Remote Similarity NPD2566 Approved
0.6753 Remote Similarity NPD4745 Approved
0.6753 Remote Similarity NPD3090 Approved
0.6753 Remote Similarity NPD3087 Approved
0.6753 Remote Similarity NPD3088 Approved
0.6753 Remote Similarity NPD3616 Approved
0.675 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6325 Discontinued
0.6712 Remote Similarity NPD4479 Discontinued
0.6691 Remote Similarity NPD5704 Approved
0.6691 Remote Similarity NPD5705 Approved
0.6691 Remote Similarity NPD5706 Approved
0.6667 Remote Similarity NPD4685 Phase 3
0.6667 Remote Similarity NPD6746 Phase 2
0.6667 Remote Similarity NPD6667 Approved
0.6667 Remote Similarity NPD4684 Phase 3
0.6667 Remote Similarity NPD2613 Approved
0.6667 Remote Similarity NPD6666 Approved
0.6667 Remote Similarity NPD7236 Approved
0.6667 Remote Similarity NPD4686 Approved
0.6667 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6648 Remote Similarity NPD5557 Phase 1
0.6646 Remote Similarity NPD3400 Discontinued
0.6645 Remote Similarity NPD7714 Approved
0.6645 Remote Similarity NPD7715 Approved
0.6629 Remote Similarity NPD3909 Discontinued
0.6623 Remote Similarity NPD4738 Phase 2
0.6621 Remote Similarity NPD4198 Discontinued
0.66 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6599 Remote Similarity NPD7741 Discontinued
0.6581 Remote Similarity NPD4621 Approved
0.6581 Remote Similarity NPD4619 Approved
0.6577 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6568 Remote Similarity NPD7972 Discontinued
0.6566 Remote Similarity NPD7239 Suspended
0.6552 Remote Similarity NPD2629 Approved
0.6548 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6533 Remote Similarity NPD4807 Approved
0.6533 Remote Similarity NPD4806 Approved
0.6531 Remote Similarity NPD7522 Discontinued
0.6525 Remote Similarity NPD6406 Approved
0.6522 Remote Similarity NPD7596 Clinical (unspecified phase)
0.651 Remote Similarity NPD5306 Approved
0.651 Remote Similarity NPD5305 Approved
0.65 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6497 Remote Similarity NPD2238 Phase 2
0.6486 Remote Similarity NPD2218 Phase 2
0.6486 Remote Similarity NPD2217 Approved
0.648 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4580 Approved
0.6454 Remote Similarity NPD6685 Approved
0.6453 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4620 Approved
0.6452 Remote Similarity NPD5201 Approved
0.6452 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5203 Approved
0.6452 Remote Similarity NPD4617 Approved
0.645 Remote Similarity NPD6072 Discontinued
0.6443 Remote Similarity NPD4209 Clinical (unspecified phase)
0.6434 Remote Similarity NPD5240 Approved
0.6434 Remote Similarity NPD5237 Approved
0.6434 Remote Similarity NPD5236 Approved
0.6434 Remote Similarity NPD5235 Approved
0.6434 Remote Similarity NPD5239 Approved
0.6429 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6425 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6424 Remote Similarity NPD4216 Approved
0.6424 Remote Similarity NPD4217 Approved
0.6424 Remote Similarity NPD3131 Approved
0.6424 Remote Similarity NPD2612 Approved
0.6424 Remote Similarity NPD4218 Approved
0.6424 Remote Similarity NPD2611 Approved
0.6424 Remote Similarity NPD4215 Approved
0.6424 Remote Similarity NPD2610 Approved
0.6424 Remote Similarity NPD2609 Approved
0.6424 Remote Similarity NPD2608 Approved
0.6424 Remote Similarity NPD3132 Approved
0.642 Remote Similarity NPD4481 Phase 3
0.6416 Remote Similarity NPD5709 Phase 3
0.641 Remote Similarity NPD3136 Phase 2
0.6409 Remote Similarity NPD7313 Approved
0.6409 Remote Similarity NPD7312 Approved
0.6409 Remote Similarity NPD7311 Approved
0.6409 Remote Similarity NPD7310 Approved
0.6406 Remote Similarity NPD4582 Approved
0.6406 Remote Similarity NPD4583 Approved
0.6392 Remote Similarity NPD6310 Approved
0.6392 Remote Similarity NPD6311 Approved
0.6392 Remote Similarity NPD6309 Approved
0.6392 Remote Similarity NPD5119 Approved
0.6392 Remote Similarity NPD5120 Approved
0.6392 Remote Similarity NPD5121 Approved
0.6387 Remote Similarity NPD5204 Approved
0.6387 Remote Similarity NPD5736 Approved
0.6386 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6383 Remote Similarity NPD2975 Approved
0.6383 Remote Similarity NPD2973 Approved
0.6383 Remote Similarity NPD2974 Approved
0.6382 Remote Similarity NPD8404 Phase 2
0.6379 Remote Similarity NPD4666 Phase 3
0.6374 Remote Similarity NPD7309 Approved
0.6364 Remote Similarity NPD2625 Approved
0.6364 Remote Similarity NPD2159 Approved
0.6364 Remote Similarity NPD2628 Approved
0.6364 Remote Similarity NPD2160 Approved
0.6364 Remote Similarity NPD2627 Approved
0.6364 Remote Similarity NPD2626 Approved
0.6358 Remote Similarity NPD4135 Approved
0.6358 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6358 Remote Similarity NPD4136 Approved
0.6358 Remote Similarity NPD4106 Approved
0.6357 Remote Similarity NPD6647 Phase 2
0.6354 Remote Similarity NPD4002 Approved
0.6354 Remote Similarity NPD4004 Approved
0.6347 Remote Similarity NPD7613 Discontinued
0.6347 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6335 Remote Similarity NPD2493 Approved
0.6335 Remote Similarity NPD2494 Approved
0.6331 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6329 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6329 Remote Similarity NPD7961 Discontinued
0.6316 Remote Similarity NPD3529 Phase 2
0.6316 Remote Similarity NPD4480 Approved
0.6312 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6309 Remote Similarity NPD6065 Approved
0.6306 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6303 Remote Similarity NPD8323 Discontinued
0.6301 Remote Similarity NPD2607 Approved
0.6299 Remote Similarity NPD5667 Approved
0.6296 Remote Similarity NPD2161 Phase 2
0.6294 Remote Similarity NPD6502 Phase 2
0.6291 Remote Similarity NPD7725 Approved
0.629 Remote Similarity NPD2488 Approved
0.629 Remote Similarity NPD2490 Approved
0.6289 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6289 Remote Similarity NPD6346 Approved
0.6286 Remote Similarity NPD4719 Phase 2
0.6282 Remote Similarity NPD3664 Approved
0.6282 Remote Similarity NPD3663 Approved
0.6282 Remote Similarity NPD3661 Approved
0.6282 Remote Similarity NPD3662 Phase 3
0.628 Remote Similarity NPD7179 Phase 2
0.6278 Remote Similarity NPD5190 Phase 2
0.6276 Remote Similarity NPD2201 Approved
0.6275 Remote Similarity NPD6637 Approved
0.6273 Remote Similarity NPD6852 Discontinued
0.6271 Remote Similarity NPD2970 Approved
0.6271 Remote Similarity NPD2969 Approved
0.6268 Remote Similarity NPD5048 Discontinued
0.6263 Remote Similarity NPD8462 Phase 1
0.6259 Remote Similarity NPD2650 Approved
0.6259 Remote Similarity NPD2652 Approved
0.6258 Remote Similarity NPD1375 Discontinued
0.6258 Remote Similarity NPD7978 Discontinued
0.6257 Remote Similarity NPD7799 Discontinued
0.625 Remote Similarity NPD7113 Clinical (unspecified phase)
0.625 Remote Similarity NPD5036 Approved
0.625 Remote Similarity NPD7526 Approved
0.625 Remote Similarity NPD7527 Clinical (unspecified phase)
0.625 Remote Similarity NPD3450 Approved
0.625 Remote Similarity NPD52 Approved
0.625 Remote Similarity NPD3452 Approved
0.6241 Remote Similarity NPD5765 Approved
0.6241 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6235 Remote Similarity NPD6864 Phase 2
0.6235 Remote Similarity NPD6865 Phase 2
0.6233 Remote Similarity NPD6912 Phase 3
0.623 Remote Similarity NPD5035 Approved
0.623 Remote Similarity NPD4578 Approved
0.623 Remote Similarity NPD7565 Approved
0.623 Remote Similarity NPD2971 Approved
0.623 Remote Similarity NPD2968 Approved
0.623 Remote Similarity NPD4577 Approved

Structure

External Identifiers

PubChem CID   11970174
ChEMBL   CHEMBL299905
ZINC  

Physicochemical Properties

Molecular Weight:  507.26
ALogP:  0.0551
MLogP:  3.99
XLogP:  5.345
# Rotatable Bonds:  11
Polar Surface Area:  108.72
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  37

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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