Natural Product: NPC129752

Natural Product ID:  NPC129752
Common Name:   Spinochrome D
IUPAC Name:  
Synonyms:   spinochrome D
Molecular Formula:   C10H6O7
Standard InCHIKey:  HYVDWYISUNRFCU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1,11-13,16-17H
Canonical SMILES:  OC1=C(O)C(=O)c2c(C1=O)c(O)c(cc2O)O
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
NPO3125 Scaphechinus mirabilis Species Scutellidae Eukaryota PMID[16180820]
NPO9760 Goniothalamus howii Species Annonaceae Eukaryota UNPD*
NPO18746 Chrysanthemum przewalskii Species Asteraceae Eukaryota UNPD*
NPO16237 Sphaeria eunomia NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity EC50 = 10000 nM 16180820

  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 NPC129752 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
0.9248 High Similarity NPC14377
0.9154 High Similarity NPC179898
0.9058 High Similarity NPC291078
0.8993 High Similarity NPC238629
0.8951 High Similarity NPC103509
0.8806 High Similarity NPC34070
0.8806 High Similarity NPC469526
0.8777 High Similarity NPC203063
0.8741 High Similarity NPC135801
0.8741 High Similarity NPC478190
0.8731 High Similarity NPC233056
0.8731 High Similarity NPC26697
0.8696 High Similarity NPC290030
0.8696 High Similarity NPC170742
0.8696 High Similarity NPC147418
0.8647 High Similarity NPC324209
0.8647 High Similarity NPC214620
0.8633 High Similarity NPC175552
0.8633 High Similarity NPC123714
0.8623 High Similarity NPC223836
0.8603 High Similarity NPC17843
0.8593 High Similarity NPC147757
0.8593 High Similarity NPC117609
0.8571 High Similarity NPC471819
0.8571 High Similarity NPC472903
0.8571 High Similarity NPC1991
0.8456 Intermediate Similarity NPC244441
0.8451 Intermediate Similarity NPC472904
0.844 Intermediate Similarity NPC143438
0.8435 Intermediate Similarity NPC48949
0.8425 Intermediate Similarity NPC471907
0.8389 Intermediate Similarity NPC477048
0.8389 Intermediate Similarity NPC127172
0.8389 Intermediate Similarity NPC477047
0.8385 Intermediate Similarity NPC232178
0.8382 Intermediate Similarity NPC278928
0.8378 Intermediate Similarity NPC202157
0.837 Intermediate Similarity NPC107672
0.837 Intermediate Similarity NPC156539
0.837 Intermediate Similarity NPC473787
0.8367 Intermediate Similarity NPC134293
0.8367 Intermediate Similarity NPC195351
0.8358 Intermediate Similarity NPC477454
0.8358 Intermediate Similarity NPC10926
0.8358 Intermediate Similarity NPC262671
0.8358 Intermediate Similarity NPC201728
0.8357 Intermediate Similarity NPC194764
0.8357 Intermediate Similarity NPC65005
0.8357 Intermediate Similarity NPC264112
0.8345 Intermediate Similarity NPC44437
0.8333 Intermediate Similarity NPC234485
0.8333 Intermediate Similarity NPC472048
0.8322 Intermediate Similarity NPC92079
0.8311 Intermediate Similarity NPC77858
0.8309 Intermediate Similarity NPC767
0.8309 Intermediate Similarity NPC41263
0.8309 Intermediate Similarity NPC247250
0.8296 Intermediate Similarity NPC8745
0.8296 Intermediate Similarity NPC473691
0.8288 Intermediate Similarity NPC226987
0.8288 Intermediate Similarity NPC143903
0.8286 Intermediate Similarity NPC72918
0.8284 Intermediate Similarity NPC13238
0.8276 Intermediate Similarity NPC257025
0.8273 Intermediate Similarity NPC294226
0.8271 Intermediate Similarity NPC225710
0.8267 Intermediate Similarity NPC89474
0.8255 Intermediate Similarity NPC225731
0.8248 Intermediate Similarity NPC92624
0.8243 Intermediate Similarity NPC9099
0.8239 Intermediate Similarity NPC416
0.8239 Intermediate Similarity NPC61398
0.8231 Intermediate Similarity NPC61871
0.8231 Intermediate Similarity NPC207729
0.8231 Intermediate Similarity NPC55557
0.8231 Intermediate Similarity NPC30647
0.8231 Intermediate Similarity NPC275772
0.8231 Intermediate Similarity NPC476821
0.8231 Intermediate Similarity NPC130230
0.8231 Intermediate Similarity NPC239312
0.8227 Intermediate Similarity NPC254847
0.8214 Intermediate Similarity NPC166480
0.8214 Intermediate Similarity NPC282780
0.82 Intermediate Similarity NPC27208
0.8194 Intermediate Similarity NPC110810
0.8188 Intermediate Similarity NPC280295
0.8188 Intermediate Similarity NPC259942
0.8182 Intermediate Similarity NPC190457
0.8176 Intermediate Similarity NPC12367
0.8176 Intermediate Similarity NPC218490
0.8176 Intermediate Similarity NPC194856
0.8176 Intermediate Similarity NPC118726
0.8176 Intermediate Similarity NPC287395
0.8176 Intermediate Similarity NPC183655
0.8176 Intermediate Similarity NPC276930
0.817 Intermediate Similarity NPC477410
0.8169 Intermediate Similarity NPC53414
0.8169 Intermediate Similarity NPC471452
0.8169 Intermediate Similarity NPC471905
0.8169 Intermediate Similarity NPC53206
0.8168 Intermediate Similarity NPC209486
0.8168 Intermediate Similarity NPC40649
0.8163 Intermediate Similarity NPC179271
0.8163 Intermediate Similarity NPC476535
0.8163 Intermediate Similarity NPC169749
0.8163 Intermediate Similarity NPC20791
0.8162 Intermediate Similarity NPC231774
0.8158 Intermediate Similarity NPC142339
0.8158 Intermediate Similarity NPC274730
0.8151 Intermediate Similarity NPC471906
0.8151 Intermediate Similarity NPC244691
0.8148 Intermediate Similarity NPC310540
0.8146 Intermediate Similarity NPC96160
0.8146 Intermediate Similarity NPC4331
0.8143 Intermediate Similarity NPC267205
0.8143 Intermediate Similarity NPC4170
0.8133 Intermediate Similarity NPC92747
0.8133 Intermediate Similarity NPC265862
0.8125 Intermediate Similarity NPC156872
0.8125 Intermediate Similarity NPC50823
0.8121 Intermediate Similarity NPC216318
0.8121 Intermediate Similarity NPC17286
0.8121 Intermediate Similarity NPC259713
0.8121 Intermediate Similarity NPC92722
0.8121 Intermediate Similarity NPC296197
0.8121 Intermediate Similarity NPC102003
0.812 Intermediate Similarity NPC146642
0.8117 Intermediate Similarity NPC84571
0.8108 Intermediate Similarity NPC51443
0.8108 Intermediate Similarity NPC74881
0.8108 Intermediate Similarity NPC476463
0.8105 Intermediate Similarity NPC300727
0.8105 Intermediate Similarity NPC241904
0.8105 Intermediate Similarity NPC179732
0.8105 Intermediate Similarity NPC236796
0.8099 Intermediate Similarity NPC471690
0.8095 Intermediate Similarity NPC28632
0.8095 Intermediate Similarity NPC472917
0.8092 Intermediate Similarity NPC201451
0.8092 Intermediate Similarity NPC26227
0.8092 Intermediate Similarity NPC56786
0.8092 Intermediate Similarity NPC44079
0.8092 Intermediate Similarity NPC80534
0.8092 Intermediate Similarity NPC214138
0.8082 Intermediate Similarity NPC175013
0.8082 Intermediate Similarity NPC287722
0.8079 Intermediate Similarity NPC161159
0.8079 Intermediate Similarity NPC20337
0.8079 Intermediate Similarity NPC312338
0.8079 Intermediate Similarity NPC149889
0.8077 Intermediate Similarity NPC476822
0.8069 Intermediate Similarity NPC290550
0.8069 Intermediate Similarity NPC187843
0.8067 Intermediate Similarity NPC10467
0.8067 Intermediate Similarity NPC184136
0.8067 Intermediate Similarity NPC45873
0.8067 Intermediate Similarity NPC474191
0.8067 Intermediate Similarity NPC62042
0.8067 Intermediate Similarity NPC61620
0.8067 Intermediate Similarity NPC248102
0.8067 Intermediate Similarity NPC151473
0.8065 Intermediate Similarity NPC201560
0.8065 Intermediate Similarity NPC311740
0.806 Intermediate Similarity NPC73532
0.806 Intermediate Similarity NPC242895
0.806 Intermediate Similarity NPC143427
0.806 Intermediate Similarity NPC19174
0.806 Intermediate Similarity NPC267552
0.806 Intermediate Similarity NPC115159
0.806 Intermediate Similarity NPC45438
0.806 Intermediate Similarity NPC224273
0.8058 Intermediate Similarity NPC247477
0.8058 Intermediate Similarity NPC17840
0.8056 Intermediate Similarity NPC138099
0.8056 Intermediate Similarity NPC242994
0.8054 Intermediate Similarity NPC131451
0.8054 Intermediate Similarity NPC15329
0.8054 Intermediate Similarity NPC19545
0.8052 Intermediate Similarity NPC329091
0.8052 Intermediate Similarity NPC100123
0.8052 Intermediate Similarity NPC476242
0.8045 Intermediate Similarity NPC294037
0.8043 Intermediate Similarity NPC24869
0.8043 Intermediate Similarity NPC165257
0.8041 Intermediate Similarity NPC138978
0.8039 Intermediate Similarity NPC43243
0.8039 Intermediate Similarity NPC98661
0.8039 Intermediate Similarity NPC13779
0.8039 Intermediate Similarity NPC266960
0.8039 Intermediate Similarity NPC245546
0.8039 Intermediate Similarity NPC247017
0.8039 Intermediate Similarity NPC201837
0.8039 Intermediate Similarity NPC49824
0.8039 Intermediate Similarity NPC268161
0.8039 Intermediate Similarity NPC474520
0.8039 Intermediate Similarity NPC475799
0.8039 Intermediate Similarity NPC153512
0.8029 Intermediate Similarity NPC51037
0.8028 Intermediate Similarity NPC258502
0.8028 Intermediate Similarity NPC290803

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC129752 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
0.9179 High Similarity NPD651 Clinical (unspecified phase)
0.8741 High Similarity NPD943 Approved
0.8271 Intermediate Similarity NPD9269 Phase 2
0.8227 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8163 Intermediate Similarity NPD1512 Approved
0.8027 Intermediate Similarity NPD1511 Approved
0.8015 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.797 Intermediate Similarity NPD9268 Approved
0.7908 Intermediate Similarity NPD2801 Approved
0.7762 Intermediate Similarity NPD230 Phase 1
0.7698 Intermediate Similarity NPD1470 Approved
0.7692 Intermediate Similarity NPD3882 Suspended
0.7687 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD7390 Discontinued
0.7613 Intermediate Similarity NPD1934 Approved
0.7564 Intermediate Similarity NPD1465 Phase 2
0.7564 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD1201 Approved
0.7483 Intermediate Similarity NPD3300 Phase 2
0.7453 Intermediate Similarity NPD6232 Discontinued
0.7423 Intermediate Similarity NPD7473 Discontinued
0.7386 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD1510 Phase 2
0.7365 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD6166 Phase 2
0.7362 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1240 Approved
0.7296 Intermediate Similarity NPD3817 Phase 2
0.7285 Intermediate Similarity NPD2800 Approved
0.7273 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1607 Approved
0.7169 Intermediate Similarity NPD3818 Discontinued
0.7161 Intermediate Similarity NPD2532 Approved
0.7161 Intermediate Similarity NPD2534 Approved
0.7161 Intermediate Similarity NPD2533 Approved
0.7152 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6797 Phase 2
0.7143 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD1549 Phase 2
0.7101 Intermediate Similarity NPD7251 Discontinued
0.7086 Intermediate Similarity NPD5405 Approved
0.7086 Intermediate Similarity NPD5406 Approved
0.7086 Intermediate Similarity NPD5404 Approved
0.7086 Intermediate Similarity NPD5408 Approved
0.7078 Intermediate Similarity NPD6190 Approved
0.7073 Intermediate Similarity NPD1247 Approved
0.7044 Intermediate Similarity NPD4380 Phase 2
0.7024 Intermediate Similarity NPD7054 Approved
0.7015 Intermediate Similarity NPD9266 Approved
0.7015 Intermediate Similarity NPD74 Approved
0.7013 Intermediate Similarity NPD3750 Approved
0.7012 Intermediate Similarity NPD5494 Approved
0.6987 Remote Similarity NPD6799 Approved
0.6982 Remote Similarity NPD7472 Approved
0.6982 Remote Similarity NPD7074 Phase 3
0.6975 Remote Similarity NPD5402 Approved
0.6974 Remote Similarity NPD2935 Discontinued
0.697 Remote Similarity NPD6959 Discontinued
0.6966 Remote Similarity NPD1164 Approved
0.6964 Remote Similarity NPD3751 Discontinued
0.6959 Remote Similarity NPD7808 Phase 3
0.6941 Remote Similarity NPD7993 Clinical (unspecified phase)
0.694 Remote Similarity NPD9265 Clinical (unspecified phase)
0.694 Remote Similarity NPD9264 Approved
0.694 Remote Similarity NPD9263 Approved
0.694 Remote Similarity NPD9267 Approved
0.6933 Remote Similarity NPD447 Suspended
0.6914 Remote Similarity NPD7819 Suspended
0.6903 Remote Similarity NPD1878 Clinical (unspecified phase)
0.689 Remote Similarity NPD7075 Discontinued
0.689 Remote Similarity NPD3749 Approved
0.6887 Remote Similarity NPD6651 Approved
0.6886 Remote Similarity NPD3926 Phase 2
0.6871 Remote Similarity NPD9494 Approved
0.6832 Remote Similarity NPD6599 Discontinued
0.6824 Remote Similarity NPD5844 Phase 1
0.681 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6797 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6788 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6801 Discontinued
0.6747 Remote Similarity NPD919 Approved
0.6742 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6738 Remote Similarity NPD9493 Approved
0.673 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6723 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6715 Remote Similarity NPD4750 Phase 3
0.6714 Remote Similarity NPD9281 Approved
0.6713 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1529 Clinical (unspecified phase)
0.671 Remote Similarity NPD2344 Approved
0.6705 Remote Similarity NPD8150 Discontinued
0.6688 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD3226 Approved
0.6667 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2796 Approved
0.6645 Remote Similarity NPD1551 Phase 2
0.6642 Remote Similarity NPD9261 Approved
0.6628 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6627 Remote Similarity NPD5710 Approved
0.6627 Remote Similarity NPD3787 Discontinued
0.6627 Remote Similarity NPD5711 Approved
0.6623 Remote Similarity NPD3764 Approved
0.6617 Remote Similarity NPD1242 Phase 1
0.6609 Remote Similarity NPD5027 Approved
0.6609 Remote Similarity NPD5029 Approved
0.6609 Remote Similarity NPD5031 Approved
0.6594 Remote Similarity NPD3021 Approved
0.6594 Remote Similarity NPD3022 Approved
0.6575 Remote Similarity NPD6535 Approved
0.6575 Remote Similarity NPD6534 Approved
0.6571 Remote Similarity NPD4954 Approved
0.6571 Remote Similarity NPD36 Approved
0.6571 Remote Similarity NPD5028 Approved
0.6571 Remote Similarity NPD5026 Approved
0.6571 Remote Similarity NPD4955 Approved
0.6571 Remote Similarity NPD5034 Approved
0.6567 Remote Similarity NPD940 Approved
0.6567 Remote Similarity NPD846 Approved
0.6552 Remote Similarity NPD2932 Approved
0.655 Remote Similarity NPD2403 Approved
0.6548 Remote Similarity NPD6234 Discontinued
0.6543 Remote Similarity NPD920 Approved
0.6543 Remote Similarity NPD5403 Approved
0.6541 Remote Similarity NPD2309 Approved
0.6538 Remote Similarity NPD6099 Approved
0.6538 Remote Similarity NPD9570 Approved
0.6538 Remote Similarity NPD6100 Approved
0.6536 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6536 Remote Similarity NPD1613 Approved
0.6528 Remote Similarity NPD9545 Approved
0.6522 Remote Similarity NPD642 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5401 Approved
0.6519 Remote Similarity NPD1243 Approved
0.6517 Remote Similarity NPD5037 Approved
0.6517 Remote Similarity NPD5038 Approved
0.6514 Remote Similarity NPD5030 Phase 2
0.651 Remote Similarity NPD1203 Approved
0.6497 Remote Similarity NPD2346 Discontinued
0.6497 Remote Similarity NPD1471 Phase 3
0.6486 Remote Similarity NPD6779 Approved
0.6486 Remote Similarity NPD6782 Approved
0.6486 Remote Similarity NPD6778 Approved
0.6486 Remote Similarity NPD6780 Approved
0.6486 Remote Similarity NPD6776 Approved
0.6486 Remote Similarity NPD6781 Approved
0.6486 Remote Similarity NPD6777 Approved
0.6485 Remote Similarity NPD7411 Suspended
0.6478 Remote Similarity NPD8166 Discontinued
0.6477 Remote Similarity NPD5032 Approved
0.6467 Remote Similarity NPD7700 Phase 2
0.6467 Remote Similarity NPD7699 Phase 2
0.6461 Remote Similarity NPD5036 Approved
0.6461 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6447 Remote Similarity NPD3027 Phase 3
0.6446 Remote Similarity NPD37 Approved
0.6442 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5035 Approved
0.6438 Remote Similarity NPD3019 Approved
0.6429 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6419 Remote Similarity NPD9717 Approved
0.6415 Remote Similarity NPD2654 Approved
0.6405 Remote Similarity NPD411 Approved
0.6402 Remote Similarity NPD1653 Approved
0.6398 Remote Similarity NPD643 Clinical (unspecified phase)
0.6398 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6395 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7435 Discontinued
0.6376 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6375 Remote Similarity NPD6398 Clinical (unspecified phase)
0.637 Remote Similarity NPD289 Clinical (unspecified phase)
0.6369 Remote Similarity NPD2799 Discontinued
0.6358 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6358 Remote Similarity NPD258 Approved
0.6358 Remote Similarity NPD257 Approved
0.6354 Remote Similarity NPD6836 Approved
0.6333 Remote Similarity NPD8434 Phase 2
0.6331 Remote Similarity NPD7768 Phase 2
0.6331 Remote Similarity NPD4967 Phase 2
0.6331 Remote Similarity NPD4966 Approved
0.6331 Remote Similarity NPD4965 Approved
0.6328 Remote Similarity NPD6559 Discontinued
0.6316 Remote Similarity NPD9569 Approved
0.6299 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6299 Remote Similarity NPD2313 Discontinued
0.6296 Remote Similarity NPD7696 Phase 3
0.6296 Remote Similarity NPD7698 Approved
0.6296 Remote Similarity NPD7697 Approved
0.6286 Remote Similarity NPD7228 Approved
0.6284 Remote Similarity NPD5968 Phase 3
0.6279 Remote Similarity NPD7199 Phase 2
0.6271 Remote Similarity NPD5953 Discontinued
0.6263 Remote Similarity NPD7870 Phase 2
0.6263 Remote Similarity NPD7871 Phase 2
0.6258 Remote Similarity NPD520 Approved
0.625 Remote Similarity NPD7701 Phase 2
0.625 Remote Similarity NPD2798 Approved
0.625 Remote Similarity NPD7286 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL452666
ZINC  

Physicochemical Properties

Molecular Weight:  238.01
ALogP:  -2.5669
MLogP:  1.79
XLogP:  0.203
# Rotatable Bonds:  5
Polar Surface Area:  135.29
# H-Bond Aceptor:  4
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  17

Download Data

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