Natural Product: NPC143250

Natural Product ID:  NPC143250
Common Name:   Oblongolide Q
IUPAC Name:  
Synonyms:   Oblongolide Q
Molecular Formula:   C14H20O3
Standard InCHIKey:  RGKHWBMZWVZHFX-YMCXHIPESA-N
Standard InCHI:  InChI=1S/C14H20O3/c1-7-3-4-9-8(5-7)11-12(17-11)10-6-16-13(15)14(9,10)2/h7-12H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12+,14+/m0/s1
Canonical SMILES:  C[C@H]1CC[C@H]2[C@H](C1)[C@@H]1O[C@@H]1[C@H]1[C@]2(C)C(=O)OC1
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
NPO33230 Phomopsis sp. BCC 9789 Species Valsaceae Eukaryota PMID[20038128]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 212000 nM DrugMatrix in vitro pharmacology data
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC > 212000 nM DrugMatrix in vitro pharmacology data
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 212000 nM DrugMatrix in vitro pharmacology data
NPT639 Cell Line NCI-H187 Homo sapiens IC50 > 85000 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 > 85000 nM 10.6019/CHEMBL1201861
NPT91 Cell Line KB Homo sapiens IC50 > 85000 nM 10.6019/CHEMBL1201861

  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 NPC143250 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
0.8831 High Similarity NPC125366
0.8831 High Similarity NPC134227
0.8784 High Similarity NPC55508
0.8734 High Similarity NPC15091
0.8481 Intermediate Similarity NPC475743
0.84 Intermediate Similarity NPC109510
0.84 Intermediate Similarity NPC474755
0.8205 Intermediate Similarity NPC307865
0.8193 Intermediate Similarity NPC477441
0.8171 Intermediate Similarity NPC473299
0.8171 Intermediate Similarity NPC65133
0.8171 Intermediate Similarity NPC477434
0.8082 Intermediate Similarity NPC84562
0.8068 Intermediate Similarity NPC56369
0.8046 Intermediate Similarity NPC474379
0.8028 Intermediate Similarity NPC306750
0.7978 Intermediate Similarity NPC235109
0.7955 Intermediate Similarity NPC477495
0.7952 Intermediate Similarity NPC475689
0.7931 Intermediate Similarity NPC216137
0.7931 Intermediate Similarity NPC475878
0.7907 Intermediate Similarity NPC477443
0.7907 Intermediate Similarity NPC67653
0.7907 Intermediate Similarity NPC477440
0.7907 Intermediate Similarity NPC471459
0.7889 Intermediate Similarity NPC474921
0.7889 Intermediate Similarity NPC266417
0.7875 Intermediate Similarity NPC475725
0.7865 Intermediate Similarity NPC82633
0.7857 Intermediate Similarity NPC477445
0.7857 Intermediate Similarity NPC473350
0.7848 Intermediate Similarity NPC92489
0.7848 Intermediate Similarity NPC471046
0.7816 Intermediate Similarity NPC477433
0.7816 Intermediate Similarity NPC477444
0.7816 Intermediate Similarity NPC477442
0.7791 Intermediate Similarity NPC226491
0.7791 Intermediate Similarity NPC477614
0.7791 Intermediate Similarity NPC221993
0.7791 Intermediate Similarity NPC476435
0.7791 Intermediate Similarity NPC471221
0.7778 Intermediate Similarity NPC474754
0.7778 Intermediate Similarity NPC163685
0.7738 Intermediate Similarity NPC97505
0.7738 Intermediate Similarity NPC181871
0.7738 Intermediate Similarity NPC9060
0.7701 Intermediate Similarity NPC200580
0.7683 Intermediate Similarity NPC477851
0.7683 Intermediate Similarity NPC472951
0.7683 Intermediate Similarity NPC472943
0.7674 Intermediate Similarity NPC239938
0.7647 Intermediate Similarity NPC474572
0.764 Intermediate Similarity NPC476189
0.764 Intermediate Similarity NPC147272
0.7639 Intermediate Similarity NPC478126
0.7634 Intermediate Similarity NPC475958
0.7625 Intermediate Similarity NPC474020
0.7619 Intermediate Similarity NPC476721
0.7619 Intermediate Similarity NPC227170
0.7614 Intermediate Similarity NPC77756
0.7614 Intermediate Similarity NPC470114
0.7614 Intermediate Similarity NPC475776
0.759 Intermediate Similarity NPC328639
0.759 Intermediate Similarity NPC475951
0.759 Intermediate Similarity NPC329490
0.7586 Intermediate Similarity NPC236459
0.7586 Intermediate Similarity NPC476379
0.7582 Intermediate Similarity NPC193785
0.7582 Intermediate Similarity NPC475765
0.7582 Intermediate Similarity NPC475785
0.7561 Intermediate Similarity NPC73013
0.7561 Intermediate Similarity NPC275243
0.7558 Intermediate Similarity NPC475729
0.7558 Intermediate Similarity NPC476717
0.7558 Intermediate Similarity NPC248216
0.7558 Intermediate Similarity NPC474008
0.7558 Intermediate Similarity NPC474215
0.7558 Intermediate Similarity NPC83242
0.7556 Intermediate Similarity NPC470424
0.7556 Intermediate Similarity NPC66581
0.7532 Intermediate Similarity NPC295788
0.7531 Intermediate Similarity NPC471151
0.7529 Intermediate Similarity NPC219535
0.7529 Intermediate Similarity NPC237938
0.7528 Intermediate Similarity NPC474065
0.7528 Intermediate Similarity NPC52756
0.75 Intermediate Similarity NPC472145
0.75 Intermediate Similarity NPC13494
0.75 Intermediate Similarity NPC194642
0.7473 Intermediate Similarity NPC287354
0.7473 Intermediate Similarity NPC90014
0.7473 Intermediate Similarity NPC62407
0.7471 Intermediate Similarity NPC175293
0.7471 Intermediate Similarity NPC470920
0.747 Intermediate Similarity NPC1882
0.747 Intermediate Similarity NPC60568
0.7442 Intermediate Similarity NPC477205
0.7442 Intermediate Similarity NPC476715
0.7419 Intermediate Similarity NPC476807
0.7419 Intermediate Similarity NPC476806
0.7419 Intermediate Similarity NPC472144
0.7416 Intermediate Similarity NPC472146
0.7416 Intermediate Similarity NPC185529
0.7416 Intermediate Similarity NPC475211
0.7416 Intermediate Similarity NPC88337
0.7397 Intermediate Similarity NPC204173
0.7391 Intermediate Similarity NPC256227
0.7386 Intermediate Similarity NPC473319
0.7386 Intermediate Similarity NPC131104
0.7386 Intermediate Similarity NPC3032
0.7381 Intermediate Similarity NPC280781
0.7381 Intermediate Similarity NPC58631
0.7381 Intermediate Similarity NPC48756
0.7381 Intermediate Similarity NPC209318
0.7381 Intermediate Similarity NPC223330
0.7375 Intermediate Similarity NPC96759
0.7363 Intermediate Similarity NPC474841
0.7363 Intermediate Similarity NPC473434
0.7363 Intermediate Similarity NPC225474
0.7363 Intermediate Similarity NPC471446
0.7363 Intermediate Similarity NPC469596
0.7363 Intermediate Similarity NPC148000
0.7356 Intermediate Similarity NPC302111
0.7356 Intermediate Similarity NPC235196
0.7356 Intermediate Similarity NPC228593
0.7349 Intermediate Similarity NPC80891
0.7349 Intermediate Similarity NPC201276
0.7326 Intermediate Similarity NPC79308
0.7326 Intermediate Similarity NPC473336
0.7326 Intermediate Similarity NPC471044
0.7326 Intermediate Similarity NPC291310
0.7312 Intermediate Similarity NPC471241
0.7312 Intermediate Similarity NPC136781
0.7312 Intermediate Similarity NPC469810
0.7303 Intermediate Similarity NPC61688
0.7303 Intermediate Similarity NPC116620
0.7294 Intermediate Similarity NPC226988
0.7284 Intermediate Similarity NPC159789
0.7284 Intermediate Similarity NPC186851
0.7283 Intermediate Similarity NPC157686
0.7283 Intermediate Similarity NPC259042
0.7283 Intermediate Similarity NPC17336
0.7283 Intermediate Similarity NPC217329
0.7273 Intermediate Similarity NPC41542
0.7262 Intermediate Similarity NPC471217
0.7262 Intermediate Similarity NPC475456
0.7262 Intermediate Similarity NPC471216
0.725 Intermediate Similarity NPC123122
0.7245 Intermediate Similarity NPC180744
0.7241 Intermediate Similarity NPC478111
0.7241 Intermediate Similarity NPC62572
0.7241 Intermediate Similarity NPC235402
0.7234 Intermediate Similarity NPC28864
0.7234 Intermediate Similarity NPC162459
0.7234 Intermediate Similarity NPC253995
0.7234 Intermediate Similarity NPC98837
0.7234 Intermediate Similarity NPC38471
0.7234 Intermediate Similarity NPC474724
0.7234 Intermediate Similarity NPC38296
0.7234 Intermediate Similarity NPC89099
0.7234 Intermediate Similarity NPC20479
0.7229 Intermediate Similarity NPC80089
0.7229 Intermediate Similarity NPC324700
0.7229 Intermediate Similarity NPC171426
0.7229 Intermediate Similarity NPC224802
0.7229 Intermediate Similarity NPC34046
0.7222 Intermediate Similarity NPC18536
0.7222 Intermediate Similarity NPC153853
0.7222 Intermediate Similarity NPC50443
0.7209 Intermediate Similarity NPC472847
0.7204 Intermediate Similarity NPC473964
0.7204 Intermediate Similarity NPC29410
0.7204 Intermediate Similarity NPC116683
0.7204 Intermediate Similarity NPC200054
0.7204 Intermediate Similarity NPC93245
0.7188 Intermediate Similarity NPC244969
0.7188 Intermediate Similarity NPC213528
0.7176 Intermediate Similarity NPC476071
0.7176 Intermediate Similarity NPC71541
0.7176 Intermediate Similarity NPC470156
0.7176 Intermediate Similarity NPC474870
0.7176 Intermediate Similarity NPC271572
0.7176 Intermediate Similarity NPC470154
0.7174 Intermediate Similarity NPC309127
0.7174 Intermediate Similarity NPC24861
0.7174 Intermediate Similarity NPC247877
0.716 Intermediate Similarity NPC477867
0.7159 Intermediate Similarity NPC120395
0.7159 Intermediate Similarity NPC472272
0.7158 Intermediate Similarity NPC293866
0.7143 Intermediate Similarity NPC470230
0.7143 Intermediate Similarity NPC320144
0.7143 Intermediate Similarity NPC165180
0.7143 Intermediate Similarity NPC477287
0.7128 Intermediate Similarity NPC472273
0.7128 Intermediate Similarity NPC10864
0.7128 Intermediate Similarity NPC190080
0.7128 Intermediate Similarity NPC473963
0.7128 Intermediate Similarity NPC111187
0.7128 Intermediate Similarity NPC96839

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC143250 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
0.7284 Intermediate Similarity NPD3703 Phase 2
0.7263 Intermediate Similarity NPD1700 Approved
0.7229 Intermediate Similarity NPD6697 Approved
0.7229 Intermediate Similarity NPD6118 Approved
0.7229 Intermediate Similarity NPD6114 Approved
0.7229 Intermediate Similarity NPD6115 Approved
0.7143 Intermediate Similarity NPD6008 Approved
0.7125 Intermediate Similarity NPD5777 Approved
0.7108 Intermediate Similarity NPD6116 Phase 1
0.6988 Remote Similarity NPD6117 Approved
0.6977 Remote Similarity NPD1779 Approved
0.6977 Remote Similarity NPD1780 Approved
0.6962 Remote Similarity NPD229 Approved
0.6951 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3702 Approved
0.6733 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6596 Remote Similarity NPD8035 Phase 2
0.6596 Remote Similarity NPD8034 Phase 2
0.6582 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5345 Clinical (unspecified phase)
0.65 Remote Similarity NPD4224 Phase 2
0.6442 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6375 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6373 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6304 Remote Similarity NPD1694 Approved
0.6289 Remote Similarity NPD7900 Approved
0.6289 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6265 Remote Similarity NPD3698 Phase 2
0.619 Remote Similarity NPD4245 Approved
0.619 Remote Similarity NPD4244 Approved
0.6186 Remote Similarity NPD6399 Phase 3
0.617 Remote Similarity NPD3573 Approved
0.6154 Remote Similarity NPD6675 Approved
0.6154 Remote Similarity NPD6402 Approved
0.6154 Remote Similarity NPD5739 Approved
0.6154 Remote Similarity NPD7128 Approved
0.6145 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6145 Remote Similarity NPD5360 Phase 3
0.6132 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6132 Remote Similarity NPD6372 Approved
0.6132 Remote Similarity NPD6373 Approved
0.6118 Remote Similarity NPD6081 Approved
0.6111 Remote Similarity NPD6928 Phase 2
0.61 Remote Similarity NPD7902 Approved
0.6095 Remote Similarity NPD5697 Approved
0.6095 Remote Similarity NPD5701 Approved
0.6087 Remote Similarity NPD3669 Approved
0.6087 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6067 Remote Similarity NPD3671 Phase 1
0.6064 Remote Similarity NPD7146 Approved
0.6064 Remote Similarity NPD6684 Approved
0.6064 Remote Similarity NPD5330 Approved
0.6064 Remote Similarity NPD7521 Approved
0.6064 Remote Similarity NPD6409 Approved
0.6064 Remote Similarity NPD7334 Approved
0.6061 Remote Similarity NPD6356 Clinical (unspecified phase)
0.604 Remote Similarity NPD7638 Approved
0.6038 Remote Similarity NPD6881 Approved
0.6038 Remote Similarity NPD7320 Approved
0.6038 Remote Similarity NPD6899 Approved
0.6036 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6650 Approved
0.6019 Remote Similarity NPD6649 Approved
0.6 Remote Similarity NPD4789 Approved
0.5981 Remote Similarity NPD6014 Approved
0.5981 Remote Similarity NPD6013 Approved
0.5981 Remote Similarity NPD6012 Approved
0.598 Remote Similarity NPD7639 Approved
0.598 Remote Similarity NPD7640 Approved
0.596 Remote Similarity NPD7748 Approved
0.596 Remote Similarity NPD6001 Approved
0.5957 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5938 Remote Similarity NPD6903 Approved
0.5938 Remote Similarity NPD7513 Clinical (unspecified phase)
0.593 Remote Similarity NPD4758 Discontinued
0.5926 Remote Similarity NPD7290 Approved
0.5926 Remote Similarity NPD6883 Approved
0.5926 Remote Similarity NPD7102 Approved
0.5921 Remote Similarity NPD615 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4632 Approved
0.5895 Remote Similarity NPD3618 Phase 1
0.5888 Remote Similarity NPD6011 Approved
0.5882 Remote Similarity NPD3726 Approved
0.5882 Remote Similarity NPD3725 Approved
0.5877 Remote Similarity NPD6319 Approved
0.5876 Remote Similarity NPD5328 Approved
0.5876 Remote Similarity NPD1695 Approved
0.5872 Remote Similarity NPD6847 Approved
0.5872 Remote Similarity NPD8130 Phase 1
0.5872 Remote Similarity NPD6869 Approved
0.5872 Remote Similarity NPD6617 Approved
0.5865 Remote Similarity NPD7632 Discontinued
0.5854 Remote Similarity NPD371 Approved
0.5826 Remote Similarity NPD6921 Approved
0.5825 Remote Similarity NPD8418 Phase 2
0.5818 Remote Similarity NPD6882 Approved
0.5818 Remote Similarity NPD8297 Approved
0.5812 Remote Similarity NPD7492 Approved
0.5806 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5784 Remote Similarity NPD4755 Approved
0.5773 Remote Similarity NPD5737 Approved
0.5773 Remote Similarity NPD6672 Approved
0.5766 Remote Similarity NPD8133 Approved
0.5763 Remote Similarity NPD6616 Approved
0.5758 Remote Similarity NPD6079 Approved
0.5758 Remote Similarity NPD7515 Phase 2
0.5752 Remote Similarity NPD6009 Approved
0.5739 Remote Similarity NPD6054 Approved
0.5739 Remote Similarity NPD6059 Approved
0.5728 Remote Similarity NPD4225 Approved
0.5727 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5726 Remote Similarity NPD8328 Phase 3
0.5726 Remote Similarity NPD7604 Phase 2
0.5714 Remote Similarity NPD4802 Phase 2
0.5714 Remote Similarity NPD7078 Approved
0.5714 Remote Similarity NPD8293 Discontinued
0.5714 Remote Similarity NPD4238 Approved
0.5698 Remote Similarity NPD4267 Clinical (unspecified phase)
0.569 Remote Similarity NPD5983 Phase 2
0.569 Remote Similarity NPD6015 Approved
0.569 Remote Similarity NPD6016 Approved
0.5686 Remote Similarity NPD4697 Phase 3
0.5673 Remote Similarity NPD5285 Approved
0.5673 Remote Similarity NPD4700 Approved
0.5673 Remote Similarity NPD4696 Approved
0.5673 Remote Similarity NPD5286 Approved
0.5667 Remote Similarity NPD7736 Approved
0.5664 Remote Similarity NPD6940 Discontinued
0.5664 Remote Similarity NPD6274 Approved
0.5641 Remote Similarity NPD5988 Approved
0.5641 Remote Similarity NPD6370 Approved
0.5638 Remote Similarity NPD3667 Approved
0.5632 Remote Similarity NPD2254 Approved
0.5632 Remote Similarity NPD2687 Approved
0.5632 Remote Similarity NPD2686 Approved
0.563 Remote Similarity NPD7507 Approved
0.5614 Remote Similarity NPD7115 Discovery
0.56 Remote Similarity NPD6411 Approved

Structure

External Identifiers

PubChem CID   44471972
ChEMBL   CHEMBL1087688
ZINC  

Physicochemical Properties

Molecular Weight:  236.14
ALogP:  -0.0017
MLogP:  2.67
XLogP:  2.455
# Rotatable Bonds:  2
Polar Surface Area:  38.83
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs