Natural Product: NPC477914

Natural Product ID:  NPC477914
Common Name:   Scutiaquinone B
IUPAC Name:  
Synonyms:   Scutiaquinone B
Molecular Formula:   C32H30O6
Standard InCHIKey:  BJBFRXDNHVXGCR-CAOSSQGBSA-N
Standard InCHI:  InChI=1S/C32H30O6/c1-11-7-17-23-19-9-13(3)38-16(6)22(19)32(36)28-26(23)18(8-12(2)30(28)34)24-20-10-14(4)37-15(5)21(20)31(35)27(25(17)24)29(11)33/h7-8,13-16,33,36H,9-10H2,1-6H3/t13-,14-,15+,16+/m0/s1
Canonical SMILES:  C[C@@H]1O[C@H](C)C2=C(C1)c1c3C=C(C)C(=O)c4c3c(c3c1c(C2=O)c(O)c(c3)C)c1c(c4O)[C@@H](C)O[C@H](C1)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
NPO1248 Scutia myrtina Species Rhamnaceae Eukaryota roots PMID[17378532]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4924 Organism Haemonchus contortus Haemonchus contortus EC90 = 10.3 ug/ml 17378532

  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 NPC477914 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
0.9444 High Similarity NPC477913
0.8926 High Similarity NPC470570
0.891 High Similarity NPC472261
0.8859 High Similarity NPC34482
0.8816 High Similarity NPC205766
0.8792 High Similarity NPC48762
0.8774 High Similarity NPC478027
0.8758 High Similarity NPC72958
0.8758 High Similarity NPC232645
0.875 High Similarity NPC472058
0.875 High Similarity NPC470341
0.875 High Similarity NPC324522
0.875 High Similarity NPC105414
0.875 High Similarity NPC234497
0.8742 High Similarity NPC469664
0.8733 High Similarity NPC474630
0.8701 High Similarity NPC87708
0.8693 High Similarity NPC470568
0.8688 High Similarity NPC477835
0.8671 High Similarity NPC189552
0.8671 High Similarity NPC18380
0.8671 High Similarity NPC273467
0.8667 High Similarity NPC193703
0.8667 High Similarity NPC21599
0.8662 High Similarity NPC195167
0.8649 High Similarity NPC168471
0.8645 High Similarity NPC329844
0.8636 High Similarity NPC149526
0.8636 High Similarity NPC470569
0.8636 High Similarity NPC474417
0.8627 High Similarity NPC288036
0.8627 High Similarity NPC65589
0.8627 High Similarity NPC97028
0.8627 High Similarity NPC100985
0.8627 High Similarity NPC158338
0.8627 High Similarity NPC97029
0.8618 High Similarity NPC119767
0.8618 High Similarity NPC34802
0.8616 High Similarity NPC15374
0.8608 High Similarity NPC472052
0.8608 High Similarity NPC184326
0.8608 High Similarity NPC292863
0.8608 High Similarity NPC470342
0.8608 High Similarity NPC312993
0.8608 High Similarity NPC472060
0.8608 High Similarity NPC186325
0.86 High Similarity NPC159721
0.859 High Similarity NPC66029
0.859 High Similarity NPC226656
0.859 High Similarity NPC66508
0.8589 High Similarity NPC477836
0.8581 High Similarity NPC40356
0.8581 High Similarity NPC154683
0.8562 High Similarity NPC7025
0.8562 High Similarity NPC290695
0.8562 High Similarity NPC256672
0.8562 High Similarity NPC27221
0.8562 High Similarity NPC106524
0.8553 High Similarity NPC147250
0.8553 High Similarity NPC137232
0.8544 High Similarity NPC18699
0.8544 High Similarity NPC105584
0.8544 High Similarity NPC177650
0.8544 High Similarity NPC324736
0.8544 High Similarity NPC228654
0.8544 High Similarity NPC55443
0.8543 High Similarity NPC151607
0.8543 High Similarity NPC42540
0.8533 High Similarity NPC135524
0.8526 High Similarity NPC169990
0.8526 High Similarity NPC210942
0.8516 High Similarity NPC478148
0.8514 High Similarity NPC87723
0.8509 High Similarity NPC472057
0.8509 High Similarity NPC472051
0.8506 High Similarity NPC477221
0.8506 High Similarity NPC329933
0.8506 High Similarity NPC247219
0.8497 Intermediate Similarity NPC7943
0.8497 Intermediate Similarity NPC123202
0.8497 Intermediate Similarity NPC118027
0.8497 Intermediate Similarity NPC52161
0.8497 Intermediate Similarity NPC290194
0.8497 Intermediate Similarity NPC56433
0.8497 Intermediate Similarity NPC312929
0.8497 Intermediate Similarity NPC472135
0.8497 Intermediate Similarity NPC289042
0.8497 Intermediate Similarity NPC190648
0.8497 Intermediate Similarity NPC126767
0.8497 Intermediate Similarity NPC22005
0.8497 Intermediate Similarity NPC245584
0.8497 Intermediate Similarity NPC162751
0.8491 Intermediate Similarity NPC195136
0.8491 Intermediate Similarity NPC472618
0.8487 Intermediate Similarity NPC170055
0.8485 Intermediate Similarity NPC477991
0.8485 Intermediate Similarity NPC477992
0.8477 Intermediate Similarity NPC471731
0.8477 Intermediate Similarity NPC84266
0.8477 Intermediate Similarity NPC296752
0.8471 Intermediate Similarity NPC37253
0.8471 Intermediate Similarity NPC79375
0.8467 Intermediate Similarity NPC472603
0.8467 Intermediate Similarity NPC305845
0.8467 Intermediate Similarity NPC204045
0.8467 Intermediate Similarity NPC246638
0.8462 Intermediate Similarity NPC474533
0.8462 Intermediate Similarity NPC474534
0.8457 Intermediate Similarity NPC251336
0.8452 Intermediate Similarity NPC255641
0.8452 Intermediate Similarity NPC290954
0.8452 Intermediate Similarity NPC147735
0.8447 Intermediate Similarity NPC290160
0.8446 Intermediate Similarity NPC53001
0.8446 Intermediate Similarity NPC301915
0.8446 Intermediate Similarity NPC261292
0.8442 Intermediate Similarity NPC106328
0.8442 Intermediate Similarity NPC221352
0.8442 Intermediate Similarity NPC472841
0.8442 Intermediate Similarity NPC35150
0.8438 Intermediate Similarity NPC219686
0.8435 Intermediate Similarity NPC283088
0.8431 Intermediate Similarity NPC285122
0.8428 Intermediate Similarity NPC51760
0.8425 Intermediate Similarity NPC114183
0.8424 Intermediate Similarity NPC131862
0.8421 Intermediate Similarity NPC48130
0.8421 Intermediate Similarity NPC227841
0.8421 Intermediate Similarity NPC218866
0.8421 Intermediate Similarity NPC84568
0.8421 Intermediate Similarity NPC300684
0.8411 Intermediate Similarity NPC239136
0.8411 Intermediate Similarity NPC19631
0.8411 Intermediate Similarity NPC474961
0.8411 Intermediate Similarity NPC469520
0.8411 Intermediate Similarity NPC182255
0.8411 Intermediate Similarity NPC471733
0.8411 Intermediate Similarity NPC94076
0.8408 Intermediate Similarity NPC93552
0.8408 Intermediate Similarity NPC471695
0.8408 Intermediate Similarity NPC474622
0.8408 Intermediate Similarity NPC214632
0.8408 Intermediate Similarity NPC474621
0.84 Intermediate Similarity NPC472601
0.84 Intermediate Similarity NPC472600
0.84 Intermediate Similarity NPC156872
0.8397 Intermediate Similarity NPC258249
0.8397 Intermediate Similarity NPC178484
0.8397 Intermediate Similarity NPC477276
0.8395 Intermediate Similarity NPC478020
0.8395 Intermediate Similarity NPC478022
0.8395 Intermediate Similarity NPC71390
0.8389 Intermediate Similarity NPC221104
0.8387 Intermediate Similarity NPC478219
0.8385 Intermediate Similarity NPC187934
0.8385 Intermediate Similarity NPC97637
0.8385 Intermediate Similarity NPC472059
0.8378 Intermediate Similarity NPC191976
0.8378 Intermediate Similarity NPC291454
0.8377 Intermediate Similarity NPC37709
0.8367 Intermediate Similarity NPC270899
0.8367 Intermediate Similarity NPC12070
0.8367 Intermediate Similarity NPC50924
0.8366 Intermediate Similarity NPC12402
0.8366 Intermediate Similarity NPC478019
0.8365 Intermediate Similarity NPC201127
0.8365 Intermediate Similarity NPC208258
0.8365 Intermediate Similarity NPC272196
0.8365 Intermediate Similarity NPC317580
0.8355 Intermediate Similarity NPC174905
0.8355 Intermediate Similarity NPC66593
0.8355 Intermediate Similarity NPC295712
0.8355 Intermediate Similarity NPC474203
0.8355 Intermediate Similarity NPC293545
0.8355 Intermediate Similarity NPC313047
0.8355 Intermediate Similarity NPC451542
0.8354 Intermediate Similarity NPC264063
0.8354 Intermediate Similarity NPC470207
0.8354 Intermediate Similarity NPC318270
0.8354 Intermediate Similarity NPC469486
0.8354 Intermediate Similarity NPC470206
0.8354 Intermediate Similarity NPC66441
0.8354 Intermediate Similarity NPC300307
0.8354 Intermediate Similarity NPC182555
0.8354 Intermediate Similarity NPC266469
0.8354 Intermediate Similarity NPC254351
0.8344 Intermediate Similarity NPC470842
0.8344 Intermediate Similarity NPC272502
0.8344 Intermediate Similarity NPC53649
0.8344 Intermediate Similarity NPC478220
0.8344 Intermediate Similarity NPC472604
0.8344 Intermediate Similarity NPC472605
0.8344 Intermediate Similarity NPC178173
0.8333 Intermediate Similarity NPC295339
0.8333 Intermediate Similarity NPC472633
0.8333 Intermediate Similarity NPC294646
0.8333 Intermediate Similarity NPC325983
0.8333 Intermediate Similarity NPC138099
0.8333 Intermediate Similarity NPC202595
0.8333 Intermediate Similarity NPC242994

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477914 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
0.8671 High Similarity NPD6959 Discontinued
0.8421 Intermediate Similarity NPD7390 Discontinued
0.8322 Intermediate Similarity NPD5405 Approved
0.8322 Intermediate Similarity NPD5406 Approved
0.8322 Intermediate Similarity NPD5404 Approved
0.8322 Intermediate Similarity NPD5408 Approved
0.8255 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD7819 Suspended
0.8129 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD4380 Phase 2
0.807 Intermediate Similarity NPD8150 Discontinued
0.8061 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD6232 Discontinued
0.7937 Intermediate Similarity NPD7411 Suspended
0.7917 Intermediate Similarity NPD5844 Phase 1
0.7904 Intermediate Similarity NPD7473 Discontinued
0.7898 Intermediate Similarity NPD2533 Approved
0.7898 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD2532 Approved
0.7898 Intermediate Similarity NPD2534 Approved
0.7898 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1510 Phase 2
0.7857 Intermediate Similarity NPD1549 Phase 2
0.7853 Intermediate Similarity NPD7768 Phase 2
0.7812 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD1607 Approved
0.7755 Intermediate Similarity NPD1470 Approved
0.7742 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6166 Phase 2
0.7727 Intermediate Similarity NPD2796 Approved
0.7724 Intermediate Similarity NPD1201 Approved
0.7702 Intermediate Similarity NPD3226 Approved
0.7697 Intermediate Similarity NPD7075 Discontinued
0.7697 Intermediate Similarity NPD3749 Approved
0.7692 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD8313 Approved
0.7688 Intermediate Similarity NPD8312 Approved
0.7677 Intermediate Similarity NPD2346 Discontinued
0.7669 Intermediate Similarity NPD1934 Approved
0.7643 Intermediate Similarity NPD7003 Approved
0.7643 Intermediate Similarity NPD3750 Approved
0.7632 Intermediate Similarity NPD1240 Approved
0.7622 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD2935 Discontinued
0.7602 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD6535 Approved
0.7598 Intermediate Similarity NPD6534 Approved
0.759 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD6559 Discontinued
0.7569 Intermediate Similarity NPD7700 Phase 2
0.7569 Intermediate Similarity NPD7699 Phase 2
0.7562 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3764 Approved
0.75 Intermediate Similarity NPD5494 Approved
0.7455 Intermediate Similarity NPD6801 Discontinued
0.7447 Intermediate Similarity NPD8151 Discontinued
0.7444 Intermediate Similarity NPD6212 Phase 3
0.7444 Intermediate Similarity NPD6213 Phase 3
0.7444 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7871 Phase 2
0.7419 Intermediate Similarity NPD7870 Phase 2
0.7412 Intermediate Similarity NPD5711 Approved
0.7412 Intermediate Similarity NPD5710 Approved
0.741 Intermediate Similarity NPD2801 Approved
0.7399 Intermediate Similarity NPD7054 Approved
0.7391 Intermediate Similarity NPD6776 Approved
0.7391 Intermediate Similarity NPD6777 Approved
0.7391 Intermediate Similarity NPD6780 Approved
0.7391 Intermediate Similarity NPD6781 Approved
0.7391 Intermediate Similarity NPD6778 Approved
0.7391 Intermediate Similarity NPD6782 Approved
0.7391 Intermediate Similarity NPD1511 Approved
0.7391 Intermediate Similarity NPD6779 Approved
0.7378 Intermediate Similarity NPD7458 Discontinued
0.7366 Intermediate Similarity NPD7698 Approved
0.7366 Intermediate Similarity NPD7696 Phase 3
0.7366 Intermediate Similarity NPD7697 Approved
0.7358 Intermediate Similarity NPD2800 Approved
0.7356 Intermediate Similarity NPD7472 Approved
0.7356 Intermediate Similarity NPD7074 Phase 3
0.7342 Intermediate Similarity NPD2344 Approved
0.7341 Intermediate Similarity NPD7177 Discontinued
0.7333 Intermediate Similarity NPD6599 Discontinued
0.733 Intermediate Similarity NPD7808 Phase 3
0.7326 Intermediate Similarity NPD8320 Phase 1
0.7326 Intermediate Similarity NPD8319 Approved
0.7325 Intermediate Similarity NPD3748 Approved
0.7321 Intermediate Similarity NPD3882 Suspended
0.7314 Intermediate Similarity NPD6797 Phase 2
0.7314 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD8166 Discontinued
0.7312 Intermediate Similarity NPD4628 Phase 3
0.7308 Intermediate Similarity NPD6651 Approved
0.7301 Intermediate Similarity NPD1512 Approved
0.729 Intermediate Similarity NPD943 Approved
0.7278 Intermediate Similarity NPD6100 Approved
0.7278 Intermediate Similarity NPD6099 Approved
0.7273 Intermediate Similarity NPD7435 Discontinued
0.7273 Intermediate Similarity NPD7251 Discontinued
0.7241 Intermediate Similarity NPD3818 Discontinued
0.7241 Intermediate Similarity NPD3751 Discontinued
0.7215 Intermediate Similarity NPD2799 Discontinued
0.7211 Intermediate Similarity NPD7701 Phase 2
0.7208 Intermediate Similarity NPD7008 Discontinued
0.7205 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7783 Phase 2
0.7178 Intermediate Similarity NPD6799 Approved
0.7171 Intermediate Similarity NPD1164 Approved
0.717 Intermediate Similarity NPD1551 Phase 2
0.7161 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2313 Discontinued
0.716 Intermediate Similarity NPD2309 Approved
0.716 Intermediate Similarity NPD3817 Phase 2
0.7143 Intermediate Similarity NPD1243 Approved
0.7135 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7874 Approved
0.7128 Intermediate Similarity NPD6823 Phase 2
0.7124 Intermediate Similarity NPD2798 Approved
0.7117 Intermediate Similarity NPD3300 Phase 2
0.7101 Intermediate Similarity NPD1465 Phase 2
0.7098 Intermediate Similarity NPD7801 Approved
0.7097 Intermediate Similarity NPD4625 Phase 3
0.7095 Intermediate Similarity NPD9545 Approved
0.7091 Intermediate Similarity NPD6273 Approved
0.7075 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5402 Approved
0.7059 Intermediate Similarity NPD8285 Discontinued
0.7048 Intermediate Similarity NPD920 Approved
0.7048 Intermediate Similarity NPD5403 Approved
0.7047 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD1651 Approved
0.7045 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD4908 Phase 1
0.7025 Intermediate Similarity NPD230 Phase 1
0.702 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD3787 Discontinued
0.7 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8455 Phase 2
0.6994 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1283 Approved
0.6987 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3972 Approved
0.6959 Remote Similarity NPD9493 Approved
0.6952 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6936 Remote Similarity NPD919 Approved
0.6935 Remote Similarity NPD4363 Phase 3
0.6935 Remote Similarity NPD4360 Phase 2
0.6928 Remote Similarity NPD642 Clinical (unspecified phase)
0.6928 Remote Similarity NPD5401 Approved
0.6927 Remote Similarity NPD5953 Discontinued
0.6914 Remote Similarity NPD7229 Phase 3
0.6909 Remote Similarity NPD7236 Approved
0.6902 Remote Similarity NPD4287 Approved
0.6894 Remote Similarity NPD7033 Discontinued
0.6894 Remote Similarity NPD4308 Phase 3
0.6894 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6887 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6887 Remote Similarity NPD3019 Approved
0.6887 Remote Similarity NPD2932 Approved
0.6875 Remote Similarity NPD3926 Phase 2
0.6867 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6866 Remote Similarity NPD8155 Clinical (unspecified phase)
0.686 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6857 Remote Similarity NPD1247 Approved
0.6855 Remote Similarity NPD2979 Phase 3
0.6854 Remote Similarity NPD7228 Approved
0.6852 Remote Similarity NPD2438 Suspended
0.6848 Remote Similarity NPD6190 Approved
0.6848 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6844 Discontinued
0.6842 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6842 Remote Similarity NPD37 Approved
0.6839 Remote Similarity NPD6234 Discontinued
0.6839 Remote Similarity NPD1203 Approved
0.6835 Remote Similarity NPD3268 Approved
0.6835 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6829 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6821 Remote Similarity NPD4965 Approved
0.6821 Remote Similarity NPD4966 Approved
0.6821 Remote Similarity NPD4967 Phase 2
0.6816 Remote Similarity NPD7286 Phase 2
0.6815 Remote Similarity NPD6832 Phase 2
0.681 Remote Similarity NPD2343 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL223798
ZINC  

Physicochemical Properties

Molecular Weight:  510.20
ALogP:  0.0048
MLogP:  4.32
XLogP:  3.289
# Rotatable Bonds:  8
Polar Surface Area:  93.06
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  38

Download Data

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