Natural Product: NPC24435

Natural Product ID:  NPC24435
Common Name:   Gymnochrome E
IUPAC Name:  
Synonyms:   Gymnochrome E
Molecular Formula:   C36H26Br2O10
Standard InCHIKey:  FQXGDTNOEQJUMM-VHSXEESVSA-N
Standard InCHI:  InChI=1S/C36H26Br2O10/c1-3-4-10(40)6-12-18-17-11(5-9(2)39)31(37)35(47)29-23(17)27-25-19(13(41)7-15(43)21(25)33(29)45)20-14(42)8-16(44)22-26(20)28(27)24(18)30(34(22)46)36(48)32(12)38/h7-10,39-44,47-48H,3-6H2,1-2H3/t9-,10+/m0/s1
Canonical SMILES:  CCC[C@H](Cc1c(Br)c(O)c2c3c1c1c(C[C@@H](O)C)c(Br)c(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O)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
NPO13709 Holopus rangii Species Holopodidae Eukaryota PMID[20158243]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml 19581457
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml 20192242
NPT378 Cell Line NCI/ADR-RES Homo sapiens IC50 = 3500 nM 20335035
NPT684 Individual Protein Histone deacetylase 1 Homo sapiens IC50 = 10900 nM 19067555

  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 NPC24435 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
0.9625 High Similarity NPC203426
0.8696 High Similarity NPC477221
0.8688 High Similarity NPC290194
0.8538 High Similarity NPC470567
0.85 High Similarity NPC227841
0.848 Intermediate Similarity NPC470566
0.8344 Intermediate Similarity NPC37709
0.8323 Intermediate Similarity NPC293545
0.8323 Intermediate Similarity NPC174905
0.821 Intermediate Similarity NPC295712
0.821 Intermediate Similarity NPC474203
0.821 Intermediate Similarity NPC451542
0.821 Intermediate Similarity NPC296752
0.821 Intermediate Similarity NPC313047
0.8148 Intermediate Similarity NPC474961
0.811 Intermediate Similarity NPC12402
0.8049 Intermediate Similarity NPC10764
0.8046 Intermediate Similarity NPC469664
0.8037 Intermediate Similarity NPC135524
0.8037 Intermediate Similarity NPC85310
0.8023 Intermediate Similarity NPC470342
0.8023 Intermediate Similarity NPC472060
0.8023 Intermediate Similarity NPC472052
0.7975 Intermediate Similarity NPC246638
0.7975 Intermediate Similarity NPC204045
0.7975 Intermediate Similarity NPC305845
0.7952 Intermediate Similarity NPC110882
0.7952 Intermediate Similarity NPC271944
0.7952 Intermediate Similarity NPC85393
0.7939 Intermediate Similarity NPC244691
0.7939 Intermediate Similarity NPC471906
0.7931 Intermediate Similarity NPC15374
0.7929 Intermediate Similarity NPC35
0.7927 Intermediate Similarity NPC19631
0.7927 Intermediate Similarity NPC239136
0.7888 Intermediate Similarity NPC191976
0.7879 Intermediate Similarity NPC471682
0.7874 Intermediate Similarity NPC273467
0.7874 Intermediate Similarity NPC189552
0.7861 Intermediate Similarity NPC324736
0.7853 Intermediate Similarity NPC470341
0.7853 Intermediate Similarity NPC190457
0.7853 Intermediate Similarity NPC234497
0.7853 Intermediate Similarity NPC472058
0.7853 Intermediate Similarity NPC105414
0.7853 Intermediate Similarity NPC324522
0.784 Intermediate Similarity NPC44960
0.784 Intermediate Similarity NPC474110
0.7836 Intermediate Similarity NPC472211
0.7833 Intermediate Similarity NPC477992
0.7833 Intermediate Similarity NPC477991
0.7821 Intermediate Similarity NPC477836
0.7818 Intermediate Similarity NPC469520
0.7818 Intermediate Similarity NPC257644
0.7816 Intermediate Similarity NPC186325
0.7816 Intermediate Similarity NPC312993
0.7812 Intermediate Similarity NPC267205
0.7797 Intermediate Similarity NPC477835
0.7784 Intermediate Similarity NPC471687
0.7784 Intermediate Similarity NPC34482
0.7784 Intermediate Similarity NPC471683
0.7771 Intermediate Similarity NPC18380
0.7759 Intermediate Similarity NPC177650
0.7744 Intermediate Similarity NPC242994
0.7744 Intermediate Similarity NPC138099
0.7738 Intermediate Similarity NPC470570
0.7738 Intermediate Similarity NPC143685
0.773 Intermediate Similarity NPC471905
0.7727 Intermediate Similarity NPC315772
0.7725 Intermediate Similarity NPC48762
0.7714 Intermediate Similarity NPC292863
0.7714 Intermediate Similarity NPC184326
0.7711 Intermediate Similarity NPC137649
0.7702 Intermediate Similarity NPC314048
0.7697 Intermediate Similarity NPC169452
0.7697 Intermediate Similarity NPC181560
0.7688 Intermediate Similarity NPC226656
0.7688 Intermediate Similarity NPC266469
0.7688 Intermediate Similarity NPC66508
0.7684 Intermediate Similarity NPC290160
0.7683 Intermediate Similarity NPC87723
0.767 Intermediate Similarity NPC472261
0.767 Intermediate Similarity NPC137232
0.7669 Intermediate Similarity NPC254847
0.7661 Intermediate Similarity NPC477914
0.7657 Intermediate Similarity NPC51760
0.7657 Intermediate Similarity NPC228654
0.7657 Intermediate Similarity NPC195167
0.7657 Intermediate Similarity NPC18699
0.7657 Intermediate Similarity NPC55443
0.7654 Intermediate Similarity NPC472262
0.7654 Intermediate Similarity NPC161964
0.7654 Intermediate Similarity NPC287604
0.7651 Intermediate Similarity NPC106519
0.7651 Intermediate Similarity NPC110810
0.7651 Intermediate Similarity NPC91019
0.764 Intermediate Similarity NPC472051
0.764 Intermediate Similarity NPC472057
0.7636 Intermediate Similarity NPC143438
0.7633 Intermediate Similarity NPC472134
0.7633 Intermediate Similarity NPC314437
0.763 Intermediate Similarity NPC182921
0.763 Intermediate Similarity NPC218870
0.763 Intermediate Similarity NPC474824
0.763 Intermediate Similarity NPC470408
0.7627 Intermediate Similarity NPC472059
0.7622 Intermediate Similarity NPC53206
0.7622 Intermediate Similarity NPC53414
0.7622 Intermediate Similarity NPC53001
0.7619 Intermediate Similarity NPC21599
0.7619 Intermediate Similarity NPC160839
0.7619 Intermediate Similarity NPC193703
0.7616 Intermediate Similarity NPC470569
0.7611 Intermediate Similarity NPC264063
0.7611 Intermediate Similarity NPC469486
0.7605 Intermediate Similarity NPC193555
0.76 Intermediate Similarity NPC208258
0.7598 Intermediate Similarity NPC293312
0.7593 Intermediate Similarity NPC139074
0.7593 Intermediate Similarity NPC213485
0.7593 Intermediate Similarity NPC40524
0.7588 Intermediate Similarity NPC34802
0.7586 Intermediate Similarity NPC318270
0.7586 Intermediate Similarity NPC66029
0.7584 Intermediate Similarity NPC472053
0.7582 Intermediate Similarity NPC470333
0.7578 Intermediate Similarity NPC474517
0.7578 Intermediate Similarity NPC72669
0.7574 Intermediate Similarity NPC170055
0.7572 Intermediate Similarity NPC43345
0.7571 Intermediate Similarity NPC219686
0.7571 Intermediate Similarity NPC301256
0.7571 Intermediate Similarity NPC312273
0.7561 Intermediate Similarity NPC118919
0.7558 Intermediate Similarity NPC280295
0.7558 Intermediate Similarity NPC205766
0.7558 Intermediate Similarity NPC470568
0.7558 Intermediate Similarity NPC147735
0.7546 Intermediate Similarity NPC282780
0.7546 Intermediate Similarity NPC166480
0.7546 Intermediate Similarity NPC12070
0.7545 Intermediate Similarity NPC187843
0.7544 Intermediate Similarity NPC142846
0.7544 Intermediate Similarity NPC221352
0.7543 Intermediate Similarity NPC474861
0.7529 Intermediate Similarity NPC285122
0.7528 Intermediate Similarity NPC473012
0.7527 Intermediate Similarity NPC473717
0.7527 Intermediate Similarity NPC473631
0.7527 Intermediate Similarity NPC475662
0.7527 Intermediate Similarity NPC293227
0.7516 Intermediate Similarity NPC147757
0.7515 Intermediate Similarity NPC48130
0.7515 Intermediate Similarity NPC300684
0.7515 Intermediate Similarity NPC218866
0.7515 Intermediate Similarity NPC62272
0.7515 Intermediate Similarity NPC477913
0.7515 Intermediate Similarity NPC84568
0.7514 Intermediate Similarity NPC149526
0.7514 Intermediate Similarity NPC232645
0.7514 Intermediate Similarity NPC476553
0.7514 Intermediate Similarity NPC300307
0.7514 Intermediate Similarity NPC72958
0.7514 Intermediate Similarity NPC476552
0.7514 Intermediate Similarity NPC476506
0.7514 Intermediate Similarity NPC476551
0.7514 Intermediate Similarity NPC474417
0.75 Intermediate Similarity NPC130899
0.75 Intermediate Similarity NPC249272
0.75 Intermediate Similarity NPC257166
0.75 Intermediate Similarity NPC317580
0.75 Intermediate Similarity NPC475184
0.75 Intermediate Similarity NPC61153
0.75 Intermediate Similarity NPC251336
0.75 Intermediate Similarity NPC283590
0.75 Intermediate Similarity NPC73061
0.75 Intermediate Similarity NPC329933
0.75 Intermediate Similarity NPC70859
0.7486 Intermediate Similarity NPC182555
0.7486 Intermediate Similarity NPC79375
0.7486 Intermediate Similarity NPC300668
0.7486 Intermediate Similarity NPC134171
0.7486 Intermediate Similarity NPC186227
0.7486 Intermediate Similarity NPC265624
0.7486 Intermediate Similarity NPC470336
0.7486 Intermediate Similarity NPC254351
0.7486 Intermediate Similarity NPC159707
0.7486 Intermediate Similarity NPC131862
0.7486 Intermediate Similarity NPC470335
0.7486 Intermediate Similarity NPC14606
0.7486 Intermediate Similarity NPC158027
0.7486 Intermediate Similarity NPC52611
0.7486 Intermediate Similarity NPC66441
0.7486 Intermediate Similarity NPC121649
0.7486 Intermediate Similarity NPC248739
0.7486 Intermediate Similarity NPC215203
0.7486 Intermediate Similarity NPC473009
0.7486 Intermediate Similarity NPC37253
0.7486 Intermediate Similarity NPC150908
0.7486 Intermediate Similarity NPC100049

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC24435 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
0.85 High Similarity NPD7390 Discontinued
0.7977 Intermediate Similarity NPD6959 Discontinued
0.7669 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5408 Approved
0.7515 Intermediate Similarity NPD5404 Approved
0.7515 Intermediate Similarity NPD5405 Approved
0.7515 Intermediate Similarity NPD5406 Approved
0.7471 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD6232 Discontinued
0.7213 Intermediate Similarity NPD7473 Discontinued
0.7191 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD4287 Approved
0.7062 Intermediate Similarity NPD4380 Phase 2
0.7039 Intermediate Similarity NPD7819 Suspended
0.6973 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6973 Remote Similarity NPD6166 Phase 2
0.6973 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6961 Remote Similarity NPD7768 Phase 2
0.6957 Remote Similarity NPD1201 Approved
0.6952 Remote Similarity NPD5844 Phase 1
0.6944 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6943 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4288 Approved
0.689 Remote Similarity NPD1470 Approved
0.6875 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2533 Approved
0.6875 Remote Similarity NPD2534 Approved
0.6875 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2532 Approved
0.6872 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8151 Discontinued
0.6859 Remote Similarity NPD8313 Approved
0.6859 Remote Similarity NPD8312 Approved
0.6833 Remote Similarity NPD7411 Suspended
0.6813 Remote Similarity NPD2296 Approved
0.6805 Remote Similarity NPD943 Approved
0.6772 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6754 Remote Similarity NPD6559 Discontinued
0.6753 Remote Similarity NPD8150 Discontinued
0.6744 Remote Similarity NPD1510 Phase 2
0.6725 Remote Similarity NPD1607 Approved
0.6703 Remote Similarity NPD1934 Approved
0.6702 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7870 Phase 2
0.6667 Remote Similarity NPD7871 Phase 2
0.6667 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7075 Discontinued
0.6649 Remote Similarity NPD7074 Phase 3
0.6649 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6649 Remote Similarity NPD3749 Approved
0.6648 Remote Similarity NPD7003 Approved
0.6647 Remote Similarity NPD651 Clinical (unspecified phase)
0.6633 Remote Similarity NPD6534 Approved
0.6633 Remote Similarity NPD6535 Approved
0.6629 Remote Similarity NPD1549 Phase 2
0.6629 Remote Similarity NPD970 Clinical (unspecified phase)
0.6617 Remote Similarity NPD7699 Phase 2
0.6617 Remote Similarity NPD7700 Phase 2
0.6612 Remote Similarity NPD6801 Discontinued
0.6608 Remote Similarity NPD1240 Approved
0.6597 Remote Similarity NPD7054 Approved
0.6595 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7472 Approved
0.6552 Remote Similarity NPD6780 Approved
0.6552 Remote Similarity NPD6781 Approved
0.6552 Remote Similarity NPD6779 Approved
0.6552 Remote Similarity NPD6778 Approved
0.6552 Remote Similarity NPD6777 Approved
0.6552 Remote Similarity NPD6782 Approved
0.6552 Remote Similarity NPD6776 Approved
0.6546 Remote Similarity NPD7808 Phase 3
0.6538 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6538 Remote Similarity NPD3226 Approved
0.6537 Remote Similarity NPD7696 Phase 3
0.6537 Remote Similarity NPD7697 Approved
0.6537 Remote Similarity NPD7698 Approved
0.6528 Remote Similarity NPD6797 Phase 2
0.6514 Remote Similarity NPD2796 Approved
0.6514 Remote Similarity NPD2935 Discontinued
0.6505 Remote Similarity NPD8320 Phase 1
0.6505 Remote Similarity NPD8319 Approved
0.6495 Remote Similarity NPD7251 Discontinued
0.6489 Remote Similarity NPD5494 Approved
0.6486 Remote Similarity NPD2801 Approved
0.6486 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6458 Remote Similarity NPD3818 Discontinued
0.6456 Remote Similarity NPD7435 Discontinued
0.6448 Remote Similarity NPD7458 Discontinued
0.6444 Remote Similarity NPD1511 Approved
0.6437 Remote Similarity NPD6651 Approved
0.6421 Remote Similarity NPD5710 Approved
0.6421 Remote Similarity NPD5711 Approved
0.6418 Remote Similarity NPD6212 Phase 3
0.6418 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6418 Remote Similarity NPD6213 Phase 3
0.6411 Remote Similarity NPD7701 Phase 2
0.6404 Remote Similarity NPD2800 Approved
0.6398 Remote Similarity NPD7783 Phase 2
0.6398 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6391 Remote Similarity NPD1164 Approved
0.6389 Remote Similarity NPD3300 Phase 2
0.6374 Remote Similarity NPD1512 Approved
0.6369 Remote Similarity NPD3750 Approved
0.6364 Remote Similarity NPD3817 Phase 2
0.6351 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6351 Remote Similarity NPD7874 Approved
0.6344 Remote Similarity NPD37 Approved
0.633 Remote Similarity NPD3882 Suspended
0.6329 Remote Similarity NPD6823 Phase 2
0.6324 Remote Similarity NPD6599 Discontinued
0.6321 Remote Similarity NPD7801 Approved
0.6319 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6313 Remote Similarity NPD7421 Clinical (unspecified phase)
0.631 Remote Similarity NPD1465 Phase 2
0.6294 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6292 Remote Similarity NPD2346 Discontinued
0.6289 Remote Similarity NPD7177 Discontinued
0.6278 Remote Similarity NPD8166 Discontinued
0.6277 Remote Similarity NPD5402 Approved
0.6277 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6256 Remote Similarity NPD6020 Phase 2
0.625 Remote Similarity NPD3787 Discontinued
0.6243 Remote Similarity NPD4965 Approved
0.6243 Remote Similarity NPD4966 Approved
0.6243 Remote Similarity NPD4967 Phase 2
0.6238 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6236 Remote Similarity NPD6099 Approved
0.6236 Remote Similarity NPD6100 Approved
0.6228 Remote Similarity NPD3019 Approved
0.6223 Remote Similarity NPD8455 Phase 2
0.6212 Remote Similarity NPD4419 Clinical (unspecified phase)
0.621 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6207 Remote Similarity NPD3269 Clinical (unspecified phase)
0.6205 Remote Similarity NPD3751 Discontinued
0.6205 Remote Similarity NPD7228 Approved
0.6188 Remote Similarity NPD7654 Discontinued
0.6188 Remote Similarity NPD3400 Discontinued
0.6182 Remote Similarity NPD405 Clinical (unspecified phase)
0.618 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6178 Remote Similarity NPD6234 Discontinued
0.6175 Remote Similarity NPD6799 Approved
0.6168 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6166 Remote Similarity NPD7229 Phase 3
0.6165 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6162 Remote Similarity NPD920 Approved
0.6162 Remote Similarity NPD5403 Approved
0.6146 Remote Similarity NPD4363 Phase 3
0.6146 Remote Similarity NPD4360 Phase 2
0.6146 Remote Similarity NPD7539 Clinical (unspecified phase)
0.6145 Remote Similarity NPD1551 Phase 2
0.6132 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6131 Remote Similarity NPD5028 Approved
0.6131 Remote Similarity NPD5034 Approved
0.6131 Remote Similarity NPD4954 Approved
0.6131 Remote Similarity NPD36 Approved
0.6131 Remote Similarity NPD4955 Approved
0.6131 Remote Similarity NPD5026 Approved
0.6131 Remote Similarity NPD2932 Approved
0.6114 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6114 Remote Similarity NPD3764 Approved
0.6111 Remote Similarity NPD2344 Approved
0.6111 Remote Similarity NPD5953 Discontinued
0.6108 Remote Similarity NPD6273 Approved
0.6102 Remote Similarity NPD230 Phase 1
0.61 Remote Similarity NPD5035 Approved
0.6099 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6099 Remote Similarity NPD4628 Phase 3
0.6091 Remote Similarity NPD7286 Phase 2
0.6089 Remote Similarity NPD3748 Approved
0.6089 Remote Similarity NPD5038 Approved
0.6089 Remote Similarity NPD5037 Approved
0.608 Remote Similarity NPD5030 Phase 2
0.6077 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6075 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6066 Remote Similarity NPD6190 Approved
0.6057 Remote Similarity NPD4625 Phase 3
0.6057 Remote Similarity NPD7008 Discontinued
0.6054 Remote Similarity NPD5401 Approved
0.6051 Remote Similarity NPD3926 Phase 2
0.6049 Remote Similarity NPD4750 Phase 3
0.6044 Remote Similarity NPD1243 Approved
0.604 Remote Similarity NPD8055 Clinical (unspecified phase)
0.604 Remote Similarity NPD5036 Approved
0.6031 Remote Similarity NPD7199 Phase 2
0.6025 Remote Similarity NPD2342 Discontinued
0.6023 Remote Similarity NPD9269 Phase 2
0.6012 Remote Similarity NPD3094 Phase 2
0.6011 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6 Remote Similarity NPD4908 Phase 1
0.6 Remote Similarity NPD2799 Discontinued
0.6 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6 Remote Similarity NPD5039 Approved
0.5989 Remote Similarity NPD6663 Approved
0.598 Remote Similarity NPD4956 Approved
0.5978 Remote Similarity NPD2309 Approved
0.5976 Remote Similarity NPD9268 Approved
0.5976 Remote Similarity NPD1651 Approved
0.597 Remote Similarity NPD8453 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   46211781
ChEMBL   CHEMBL1094577
ZINC  

Physicochemical Properties

Molecular Weight:  775.99
ALogP:  -2.8818
MLogP:  4.1
XLogP:  1.629
# Rotatable Bonds:  18
Polar Surface Area:  195.98
# H-Bond Aceptor:  4
# H-Bond Donor:  8
# Rings:  8
# Heavy Atoms:  48

Download Data

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