Natural Product: NPC223093

Natural Product ID:  NPC223093
Common Name:   Dactyloquinone B
IUPAC Name:  
Synonyms:   Dactyloquinone B
Molecular Formula:   C22H28O4
Standard InCHIKey:  VHEIQBFDIYFDPD-ZTVIYSTHSA-N
Standard InCHI:  InChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20-,21+,22-/m0/s1
Canonical SMILES:  COC1=CC(=O)C2=C(C1=O)C[C@]1([C@]3(O2)CCCC(=C)[C@]3(C)CC[C@@H]1C)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
NPO25355 Dactylospongia elegans Species Thorectidae Eukaryota PMID[21155589]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens GI50 = 41000 nM 19778068
NPT139 Cell Line HT-29 Homo sapiens GI50 = 46000 nM 8450319
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 30000 nM 8450319
NPT913 Cell Line CHO-K1 Cricetulus griseus GI50 = 43000 nM 16417306
NPT395 Cell Line SF-268 Homo sapiens GI50 = 32000 nM 22863526

  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 NPC223093 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
0.8953 High Similarity NPC133652
0.8736 High Similarity NPC241512
0.8736 High Similarity NPC6185
0.8706 High Similarity NPC474085
0.8646 High Similarity NPC179208
0.8539 High Similarity NPC471728
0.8523 High Similarity NPC8518
0.8523 High Similarity NPC263997
0.8523 High Similarity NPC132228
0.8462 Intermediate Similarity NPC474209
0.8462 Intermediate Similarity NPC475823
0.8367 Intermediate Similarity NPC40170
0.8333 Intermediate Similarity NPC30421
0.8315 Intermediate Similarity NPC478245
0.8242 Intermediate Similarity NPC478259
0.8242 Intermediate Similarity NPC478260
0.8242 Intermediate Similarity NPC478261
0.8172 Intermediate Similarity NPC248913
0.8144 Intermediate Similarity NPC104861
0.8111 Intermediate Similarity NPC474680
0.8068 Intermediate Similarity NPC55869
0.8022 Intermediate Similarity NPC470345
0.8 Intermediate Similarity NPC212812
0.8 Intermediate Similarity NPC23170
0.7959 Intermediate Similarity NPC472972
0.7955 Intermediate Similarity NPC108955
0.7938 Intermediate Similarity NPC473456
0.7917 Intermediate Similarity NPC274417
0.7917 Intermediate Similarity NPC147232
0.7895 Intermediate Similarity NPC79117
0.7889 Intermediate Similarity NPC105803
0.7872 Intermediate Similarity NPC328141
0.7872 Intermediate Similarity NPC212369
0.7865 Intermediate Similarity NPC475833
0.7865 Intermediate Similarity NPC99308
0.7841 Intermediate Similarity NPC476177
0.7822 Intermediate Similarity NPC137657
0.7816 Intermediate Similarity NPC472300
0.7812 Intermediate Similarity NPC269729
0.7812 Intermediate Similarity NPC160413
0.7812 Intermediate Similarity NPC293086
0.7789 Intermediate Similarity NPC185936
0.7789 Intermediate Similarity NPC99380
0.7789 Intermediate Similarity NPC168027
0.7778 Intermediate Similarity NPC470813
0.7778 Intermediate Similarity NPC103486
0.7778 Intermediate Similarity NPC46761
0.7778 Intermediate Similarity NPC471727
0.7766 Intermediate Similarity NPC68148
0.7766 Intermediate Similarity NPC305039
0.7766 Intermediate Similarity NPC50070
0.7766 Intermediate Similarity NPC65615
0.7755 Intermediate Similarity NPC84335
0.7755 Intermediate Similarity NPC170131
0.7755 Intermediate Similarity NPC226986
0.7755 Intermediate Similarity NPC38530
0.7753 Intermediate Similarity NPC476809
0.7745 Intermediate Similarity NPC478052
0.7727 Intermediate Similarity NPC476808
0.7727 Intermediate Similarity NPC23778
0.7723 Intermediate Similarity NPC275583
0.7717 Intermediate Similarity NPC469993
0.7708 Intermediate Similarity NPC263780
0.7708 Intermediate Similarity NPC211230
0.77 Intermediate Similarity NPC472637
0.7692 Intermediate Similarity NPC288281
0.7692 Intermediate Similarity NPC53733
0.7684 Intermediate Similarity NPC253177
0.7684 Intermediate Similarity NPC213636
0.7684 Intermediate Similarity NPC478257
0.7684 Intermediate Similarity NPC478258
0.7684 Intermediate Similarity NPC38952
0.7684 Intermediate Similarity NPC280592
0.767 Intermediate Similarity NPC44063
0.7667 Intermediate Similarity NPC473217
0.7667 Intermediate Similarity NPC478262
0.766 Intermediate Similarity NPC185059
0.766 Intermediate Similarity NPC475001
0.7647 Intermediate Similarity NPC474539
0.7629 Intermediate Similarity NPC474328
0.7629 Intermediate Similarity NPC472976
0.7629 Intermediate Similarity NPC477439
0.7629 Intermediate Similarity NPC472977
0.7624 Intermediate Similarity NPC271266
0.7624 Intermediate Similarity NPC163249
0.7624 Intermediate Similarity NPC308351
0.7614 Intermediate Similarity NPC283087
0.7609 Intermediate Similarity NPC251170
0.7604 Intermediate Similarity NPC472975
0.7604 Intermediate Similarity NPC471329
0.7604 Intermediate Similarity NPC218301
0.7604 Intermediate Similarity NPC472978
0.7604 Intermediate Similarity NPC26865
0.7604 Intermediate Similarity NPC470036
0.7604 Intermediate Similarity NPC296114
0.7604 Intermediate Similarity NPC174167
0.76 Intermediate Similarity NPC475392
0.76 Intermediate Similarity NPC475202
0.76 Intermediate Similarity NPC475385
0.76 Intermediate Similarity NPC144956
0.7582 Intermediate Similarity NPC476935
0.7582 Intermediate Similarity NPC163236
0.7579 Intermediate Similarity NPC472973
0.7579 Intermediate Similarity NPC469546
0.7576 Intermediate Similarity NPC292133
0.7576 Intermediate Similarity NPC18509
0.7556 Intermediate Similarity NPC469637
0.7556 Intermediate Similarity NPC2482
0.7553 Intermediate Similarity NPC38885
0.7551 Intermediate Similarity NPC477437
0.7551 Intermediate Similarity NPC474602
0.7551 Intermediate Similarity NPC477438
0.7551 Intermediate Similarity NPC473170
0.7549 Intermediate Similarity NPC131366
0.7547 Intermediate Similarity NPC43775
0.7528 Intermediate Similarity NPC30321
0.7528 Intermediate Similarity NPC478247
0.7528 Intermediate Similarity NPC478246
0.7527 Intermediate Similarity NPC2709
0.7526 Intermediate Similarity NPC477436
0.7526 Intermediate Similarity NPC477435
0.7525 Intermediate Similarity NPC310981
0.7524 Intermediate Similarity NPC2766
0.7524 Intermediate Similarity NPC27814
0.75 Intermediate Similarity NPC152467
0.75 Intermediate Similarity NPC475294
0.75 Intermediate Similarity NPC92080
0.75 Intermediate Similarity NPC472325
0.75 Intermediate Similarity NPC176845
0.75 Intermediate Similarity NPC8091
0.75 Intermediate Similarity NPC26504
0.75 Intermediate Similarity NPC478056
0.75 Intermediate Similarity NPC247069
0.75 Intermediate Similarity NPC64600
0.7477 Intermediate Similarity NPC193948
0.7477 Intermediate Similarity NPC90769
0.7476 Intermediate Similarity NPC213366
0.7475 Intermediate Similarity NPC192428
0.7475 Intermediate Similarity NPC111684
0.7475 Intermediate Similarity NPC469545
0.7475 Intermediate Similarity NPC58052
0.7475 Intermediate Similarity NPC5532
0.7475 Intermediate Similarity NPC61369
0.7475 Intermediate Similarity NPC472733
0.7475 Intermediate Similarity NPC472734
0.7474 Intermediate Similarity NPC472302
0.7474 Intermediate Similarity NPC48107
0.7474 Intermediate Similarity NPC328539
0.7474 Intermediate Similarity NPC158778
0.7474 Intermediate Similarity NPC206060
0.7474 Intermediate Similarity NPC474925
0.7474 Intermediate Similarity NPC230387
0.7473 Intermediate Similarity NPC149237
0.7473 Intermediate Similarity NPC474353
0.7473 Intermediate Similarity NPC119229
0.7473 Intermediate Similarity NPC225515
0.7473 Intermediate Similarity NPC121984
0.7473 Intermediate Similarity NPC278459
0.7471 Intermediate Similarity NPC147438
0.7449 Intermediate Similarity NPC471207
0.7449 Intermediate Similarity NPC196485
0.7449 Intermediate Similarity NPC471040
0.7449 Intermediate Similarity NPC74751
0.7449 Intermediate Similarity NPC245972
0.7447 Intermediate Similarity NPC94666
0.7447 Intermediate Similarity NPC220478
0.7447 Intermediate Similarity NPC203795
0.7447 Intermediate Similarity NPC327115
0.7444 Intermediate Similarity NPC27817
0.7444 Intermediate Similarity NPC192329
0.7444 Intermediate Similarity NPC475681
0.7429 Intermediate Similarity NPC293850
0.7419 Intermediate Similarity NPC312660
0.7419 Intermediate Similarity NPC469569
0.7419 Intermediate Similarity NPC237712
0.7419 Intermediate Similarity NPC144258
0.7419 Intermediate Similarity NPC476412
0.7416 Intermediate Similarity NPC219809
0.7404 Intermediate Similarity NPC32006
0.7404 Intermediate Similarity NPC470267
0.7404 Intermediate Similarity NPC85529
0.7404 Intermediate Similarity NPC292588
0.7404 Intermediate Similarity NPC475571
0.74 Intermediate Similarity NPC472732
0.74 Intermediate Similarity NPC472731
0.74 Intermediate Similarity NPC23680
0.7396 Intermediate Similarity NPC477973
0.7396 Intermediate Similarity NPC119416
0.7396 Intermediate Similarity NPC474245
0.7396 Intermediate Similarity NPC112454
0.7396 Intermediate Similarity NPC310010
0.7396 Intermediate Similarity NPC184663
0.7396 Intermediate Similarity NPC280833
0.7396 Intermediate Similarity NPC326627
0.7391 Intermediate Similarity NPC70479
0.7391 Intermediate Similarity NPC48362
0.7383 Intermediate Similarity NPC171888
0.7383 Intermediate Similarity NPC146945
0.7379 Intermediate Similarity NPC254202
0.7379 Intermediate Similarity NPC320294

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC223093 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
0.8333 Intermediate Similarity NPD3573 Approved
0.8161 Intermediate Similarity NPD4695 Discontinued
0.7849 Intermediate Similarity NPD6672 Approved
0.7849 Intermediate Similarity NPD5737 Approved
0.7766 Intermediate Similarity NPD6080 Approved
0.7766 Intermediate Similarity NPD6904 Approved
0.7766 Intermediate Similarity NPD6673 Approved
0.767 Intermediate Similarity NPD5697 Approved
0.7653 Intermediate Similarity NPD5222 Approved
0.7653 Intermediate Similarity NPD5221 Approved
0.7653 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD5693 Phase 1
0.76 Intermediate Similarity NPD5285 Approved
0.76 Intermediate Similarity NPD4696 Approved
0.76 Intermediate Similarity NPD5286 Approved
0.7596 Intermediate Similarity NPD6899 Approved
0.7596 Intermediate Similarity NPD6881 Approved
0.7596 Intermediate Similarity NPD6011 Approved
0.7576 Intermediate Similarity NPD5173 Approved
0.7576 Intermediate Similarity NPD4755 Approved
0.7573 Intermediate Similarity NPD5739 Approved
0.7573 Intermediate Similarity NPD6675 Approved
0.7573 Intermediate Similarity NPD6402 Approved
0.7573 Intermediate Similarity NPD7128 Approved
0.7525 Intermediate Similarity NPD5223 Approved
0.7524 Intermediate Similarity NPD6012 Approved
0.7524 Intermediate Similarity NPD6013 Approved
0.7524 Intermediate Similarity NPD6014 Approved
0.75 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD5692 Phase 3
0.7475 Intermediate Similarity NPD4697 Phase 3
0.7453 Intermediate Similarity NPD6883 Approved
0.7453 Intermediate Similarity NPD7102 Approved
0.7453 Intermediate Similarity NPD7290 Approved
0.7451 Intermediate Similarity NPD5224 Approved
0.7451 Intermediate Similarity NPD5211 Phase 2
0.7451 Intermediate Similarity NPD5225 Approved
0.7451 Intermediate Similarity NPD5226 Approved
0.7451 Intermediate Similarity NPD4633 Approved
0.7449 Intermediate Similarity NPD7900 Approved
0.7449 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD7748 Approved
0.7447 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD6098 Approved
0.7429 Intermediate Similarity NPD7320 Approved
0.7426 Intermediate Similarity NPD4700 Approved
0.7423 Intermediate Similarity NPD6050 Approved
0.7423 Intermediate Similarity NPD6079 Approved
0.7423 Intermediate Similarity NPD5694 Approved
0.7419 Intermediate Similarity NPD4197 Approved
0.74 Intermediate Similarity NPD6083 Phase 2
0.74 Intermediate Similarity NPD6084 Phase 2
0.7396 Intermediate Similarity NPD4753 Phase 2
0.7396 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD5328 Approved
0.7383 Intermediate Similarity NPD8130 Phase 1
0.7383 Intermediate Similarity NPD6869 Approved
0.7383 Intermediate Similarity NPD6649 Approved
0.7383 Intermediate Similarity NPD6847 Approved
0.7383 Intermediate Similarity NPD6617 Approved
0.7383 Intermediate Similarity NPD6650 Approved
0.7379 Intermediate Similarity NPD5175 Approved
0.7379 Intermediate Similarity NPD5174 Approved
0.7374 Intermediate Similarity NPD5695 Phase 3
0.7374 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD6372 Approved
0.7358 Intermediate Similarity NPD6373 Approved
0.734 Intermediate Similarity NPD5329 Approved
0.7333 Intermediate Similarity NPD3617 Approved
0.7327 Intermediate Similarity NPD5696 Approved
0.7315 Intermediate Similarity NPD8297 Approved
0.7315 Intermediate Similarity NPD6882 Approved
0.7308 Intermediate Similarity NPD5141 Approved
0.7292 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6409 Approved
0.7263 Intermediate Similarity NPD6684 Approved
0.7263 Intermediate Similarity NPD5690 Phase 2
0.7263 Intermediate Similarity NPD5330 Approved
0.7263 Intermediate Similarity NPD7334 Approved
0.7263 Intermediate Similarity NPD3618 Phase 1
0.7263 Intermediate Similarity NPD7521 Approved
0.7263 Intermediate Similarity NPD7146 Approved
0.7245 Intermediate Similarity NPD7515 Phase 2
0.7238 Intermediate Similarity NPD6008 Approved
0.7228 Intermediate Similarity NPD7902 Approved
0.7222 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4754 Approved
0.7204 Intermediate Similarity NPD4221 Approved
0.7204 Intermediate Similarity NPD4223 Phase 3
0.72 Intermediate Similarity NPD4629 Approved
0.72 Intermediate Similarity NPD5210 Approved
0.7126 Intermediate Similarity NPD4691 Approved
0.7117 Intermediate Similarity NPD6274 Approved
0.7113 Intermediate Similarity NPD6903 Approved
0.7113 Intermediate Similarity NPD5208 Approved
0.7103 Intermediate Similarity NPD4730 Approved
0.7103 Intermediate Similarity NPD5128 Approved
0.7103 Intermediate Similarity NPD4729 Approved
0.71 Intermediate Similarity NPD6001 Approved
0.7083 Intermediate Similarity NPD4694 Approved
0.7083 Intermediate Similarity NPD5280 Approved
0.7075 Intermediate Similarity NPD4768 Approved
0.7075 Intermediate Similarity NPD4767 Approved
0.7054 Intermediate Similarity NPD6317 Approved
0.7053 Intermediate Similarity NPD3133 Approved
0.7053 Intermediate Similarity NPD3668 Phase 3
0.7053 Intermediate Similarity NPD3666 Approved
0.7053 Intermediate Similarity NPD3665 Phase 1
0.703 Intermediate Similarity NPD5654 Approved
0.7021 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3667 Approved
0.7011 Intermediate Similarity NPD4137 Phase 3
0.7 Intermediate Similarity NPD4202 Approved
0.6991 Remote Similarity NPD6314 Approved
0.6991 Remote Similarity NPD6335 Approved
0.6991 Remote Similarity NPD6313 Approved
0.6972 Remote Similarity NPD5251 Approved
0.6972 Remote Similarity NPD5250 Approved
0.6972 Remote Similarity NPD5169 Approved
0.6972 Remote Similarity NPD5247 Approved
0.6972 Remote Similarity NPD5135 Approved
0.6972 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5249 Phase 3
0.6972 Remote Similarity NPD5248 Approved
0.6972 Remote Similarity NPD4634 Approved
0.6964 Remote Similarity NPD6868 Approved
0.6961 Remote Similarity NPD7732 Phase 3
0.6944 Remote Similarity NPD5168 Approved
0.6937 Remote Similarity NPD4632 Approved
0.6932 Remote Similarity NPD4747 Approved
0.693 Remote Similarity NPD7101 Approved
0.693 Remote Similarity NPD7100 Approved
0.6909 Remote Similarity NPD5216 Approved
0.6909 Remote Similarity NPD5217 Approved
0.6909 Remote Similarity NPD5127 Approved
0.6909 Remote Similarity NPD5215 Approved
0.6907 Remote Similarity NPD5205 Approved
0.6907 Remote Similarity NPD4688 Approved
0.6907 Remote Similarity NPD5279 Phase 3
0.6907 Remote Similarity NPD4519 Discontinued
0.6907 Remote Similarity NPD4689 Approved
0.6907 Remote Similarity NPD4138 Approved
0.6907 Remote Similarity NPD4623 Approved
0.6907 Remote Similarity NPD4690 Approved
0.6907 Remote Similarity NPD4693 Phase 3
0.6903 Remote Similarity NPD6009 Approved
0.6893 Remote Similarity NPD5959 Approved
0.6889 Remote Similarity NPD4058 Approved
0.6875 Remote Similarity NPD4786 Approved
0.687 Remote Similarity NPD6054 Approved
0.687 Remote Similarity NPD6319 Approved
0.686 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6614 Approved
0.6832 Remote Similarity NPD6399 Phase 3
0.681 Remote Similarity NPD5983 Phase 2
0.681 Remote Similarity NPD6015 Approved
0.681 Remote Similarity NPD6016 Approved
0.6804 Remote Similarity NPD1694 Approved
0.68 Remote Similarity NPD5207 Approved
0.6754 Remote Similarity NPD7115 Discovery
0.6752 Remote Similarity NPD6370 Approved
0.6752 Remote Similarity NPD5988 Approved
0.6726 Remote Similarity NPD5167 Approved
0.6724 Remote Similarity NPD6059 Approved
0.6702 Remote Similarity NPD4195 Approved
0.6695 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6908 Approved
0.6667 Remote Similarity NPD6909 Approved
0.6639 Remote Similarity NPD7492 Approved
0.6636 Remote Similarity NPD5091 Approved
0.6635 Remote Similarity NPD7614 Phase 1
0.6612 Remote Similarity NPD7736 Approved
0.6602 Remote Similarity NPD5282 Discontinued
0.6598 Remote Similarity NPD4788 Approved
0.6583 Remote Similarity NPD6616 Approved
0.6583 Remote Similarity NPD6336 Discontinued
0.6569 Remote Similarity NPD5284 Approved
0.6569 Remote Similarity NPD6411 Approved
0.6569 Remote Similarity NPD5281 Approved
0.6555 Remote Similarity NPD8328 Phase 3
0.6529 Remote Similarity NPD7078 Approved
0.6522 Remote Similarity NPD5733 Approved
0.6522 Remote Similarity NPD4687 Approved
0.6517 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5133 Approved
0.6484 Remote Similarity NPD5276 Approved
0.6477 Remote Similarity NPD7331 Phase 2
0.6465 Remote Similarity NPD1696 Phase 3
0.6422 Remote Similarity NPD6052 Approved
0.6396 Remote Similarity NPD6412 Phase 2
0.6393 Remote Similarity NPD8293 Discontinued
0.6392 Remote Similarity NPD8028 Phase 2
0.6373 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6101 Approved
0.6364 Remote Similarity NPD7341 Phase 2
0.6355 Remote Similarity NPD7638 Approved
0.6354 Remote Similarity NPD7645 Phase 2
0.6341 Remote Similarity NPD6033 Approved
0.6322 Remote Similarity NPD2664 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10915278
ChEMBL   CHEMBL1668117
ZINC  

Physicochemical Properties

Molecular Weight:  356.20
ALogP:  0.7152
MLogP:  3.44
XLogP:  3.747
# Rotatable Bonds:  5
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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