Natural Product: NPC477835

Natural Product ID:  NPC477835
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C31H24O10
Standard InCHIKey:  BUWQXVFFIWOOMQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C31H24O10/c1-11-5-16-23(18(32)6-11)28(35)24-17(27(16)34)10-20(40-4)26(30(24)37)21-14-7-12(2)41-31(38)25(14)29(36)22-15(21)8-13(39-3)9-19(22)33/h5-6,8-10,12,32-33,36-37H,7H2,1-4H3
Canonical SMILES:  COc1cc(O)c2c(c1)c(c1c(OC)cc3c(c1O)C(=O)c1c(C3=O)cc(cc1O)C)c1c(c2O)C(=O)OC(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
NPO33555 Pyrenacantha kaurabassana Species Icacinaceae Eukaryota tubers PMID[25756503]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori Activity = 179.8 nM 25756503
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 89900 nM 25756503

  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 NPC477835 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
0.975 High Similarity NPC477836
0.943 High Similarity NPC472052
0.943 High Similarity NPC470342
0.943 High Similarity NPC472060
0.9299 High Similarity NPC66508
0.9299 High Similarity NPC226656
0.9245 High Similarity NPC324736
0.9193 High Similarity NPC15374
0.9167 High Similarity NPC470568
0.913 High Similarity NPC18380
0.9125 High Similarity NPC195167
0.9108 High Similarity NPC470569
0.9085 High Similarity NPC472058
0.9085 High Similarity NPC105414
0.9085 High Similarity NPC324522
0.9085 High Similarity NPC470341
0.9085 High Similarity NPC234497
0.908 High Similarity NPC469664
0.9068 High Similarity NPC184326
0.9068 High Similarity NPC292863
0.9068 High Similarity NPC186325
0.9062 High Similarity NPC263483
0.9051 High Similarity NPC154683
0.9051 High Similarity NPC40356
0.9045 High Similarity NPC205766
0.9042 High Similarity NPC477992
0.9042 High Similarity NPC477991
0.9024 High Similarity NPC30027
0.9012 High Similarity NPC273467
0.9012 High Similarity NPC189552
0.9012 High Similarity NPC137232
0.9006 High Similarity NPC51760
0.9006 High Similarity NPC177650
0.9 High Similarity NPC146211
0.8994 High Similarity NPC153578
0.8994 High Similarity NPC299149
0.8994 High Similarity NPC114257
0.8994 High Similarity NPC277710
0.8987 High Similarity NPC232645
0.8987 High Similarity NPC72958
0.8982 High Similarity NPC472054
0.8974 High Similarity NPC190648
0.8974 High Similarity NPC118027
0.8974 High Similarity NPC126767
0.8974 High Similarity NPC289042
0.8974 High Similarity NPC312929
0.8974 High Similarity NPC245584
0.8974 High Similarity NPC56433
0.897 High Similarity NPC76647
0.8951 High Similarity NPC312993
0.8944 High Similarity NPC208258
0.8938 High Similarity NPC79375
0.8938 High Similarity NPC37253
0.8938 High Similarity NPC66029
0.8931 High Similarity NPC87708
0.8929 High Similarity NPC68381
0.8924 High Similarity NPC290954
0.8924 High Similarity NPC255641
0.8924 High Similarity NPC147735
0.8917 High Similarity NPC2569
0.8917 High Similarity NPC172329
0.891 High Similarity NPC470570
0.8909 High Similarity NPC125465
0.8902 High Similarity NPC290160
0.8896 High Similarity NPC472261
0.8889 High Similarity NPC55443
0.8889 High Similarity NPC473631
0.8889 High Similarity NPC293227
0.8889 High Similarity NPC473717
0.8889 High Similarity NPC475662
0.8889 High Similarity NPC18699
0.8889 High Similarity NPC105584
0.8868 High Similarity NPC149526
0.8868 High Similarity NPC474417
0.8854 High Similarity NPC37709
0.8854 High Similarity NPC34802
0.8846 High Similarity NPC34482
0.8844 High Similarity NPC105591
0.8834 High Similarity NPC226462
0.8834 High Similarity NPC195136
0.8834 High Similarity NPC98023
0.883 High Similarity NPC475161
0.883 High Similarity NPC477860
0.8827 High Similarity NPC322459
0.8827 High Similarity NPC323627
0.8827 High Similarity NPC318527
0.8827 High Similarity NPC324358
0.8824 High Similarity NPC207467
0.8824 High Similarity NPC470334
0.882 High Similarity NPC66441
0.882 High Similarity NPC300668
0.882 High Similarity NPC182555
0.882 High Similarity NPC254351
0.882 High Similarity NPC134171
0.8812 High Similarity NPC175978
0.8812 High Similarity NPC217447
0.8812 High Similarity NPC174086
0.881 High Similarity NPC271385
0.881 High Similarity NPC111536
0.881 High Similarity NPC30432
0.881 High Similarity NPC5029
0.881 High Similarity NPC76128
0.8805 High Similarity NPC119929
0.8805 High Similarity NPC473466
0.8805 High Similarity NPC474660
0.8805 High Similarity NPC294646
0.8802 High Similarity NPC300307
0.8795 High Similarity NPC251336
0.879 High Similarity NPC163846
0.879 High Similarity NPC225173
0.8788 High Similarity NPC38591
0.8786 High Similarity NPC221140
0.8786 High Similarity NPC473686
0.8786 High Similarity NPC475352
0.8786 High Similarity NPC87583
0.8786 High Similarity NPC475220
0.8786 High Similarity NPC229817
0.8782 High Similarity NPC48762
0.8782 High Similarity NPC19896
0.878 High Similarity NPC312273
0.878 High Similarity NPC301256
0.8773 High Similarity NPC15815
0.8772 High Similarity NPC473785
0.8765 High Similarity NPC61112
0.8765 High Similarity NPC198489
0.8765 High Similarity NPC46958
0.8765 High Similarity NPC471787
0.8765 High Similarity NPC32867
0.8765 High Similarity NPC309648
0.8765 High Similarity NPC475246
0.8765 High Similarity NPC69531
0.8765 High Similarity NPC472050
0.8758 High Similarity NPC214632
0.8758 High Similarity NPC208806
0.8758 High Similarity NPC329844
0.8757 High Similarity NPC85368
0.8757 High Similarity NPC470336
0.8757 High Similarity NPC131862
0.8757 High Similarity NPC470335
0.8757 High Similarity NPC229051
0.875 High Similarity NPC316960
0.875 High Similarity NPC133856
0.875 High Similarity NPC204561
0.875 High Similarity NPC477571
0.875 High Similarity NPC309512
0.875 High Similarity NPC478148
0.875 High Similarity NPC477572
0.875 High Similarity NPC477573
0.875 High Similarity NPC317715
0.875 High Similarity NPC78835
0.875 High Similarity NPC298778
0.875 High Similarity NPC148945
0.8742 High Similarity NPC3642
0.8742 High Similarity NPC158338
0.8742 High Similarity NPC233267
0.8742 High Similarity NPC97028
0.8742 High Similarity NPC288036
0.8742 High Similarity NPC65589
0.8742 High Similarity NPC100985
0.8742 High Similarity NPC291049
0.8742 High Similarity NPC97029
0.8742 High Similarity NPC329933
0.8735 High Similarity NPC472051
0.8735 High Similarity NPC471788
0.8735 High Similarity NPC472057
0.8734 High Similarity NPC119767
0.8734 High Similarity NPC290194
0.8734 High Similarity NPC125801
0.8727 High Similarity NPC473012
0.8727 High Similarity NPC315772
0.8727 High Similarity NPC473022
0.8726 High Similarity NPC49282
0.8721 High Similarity NPC315221
0.8721 High Similarity NPC208069
0.872 High Similarity NPC42965
0.872 High Similarity NPC284495
0.872 High Similarity NPC476506
0.872 High Similarity NPC472055
0.8718 High Similarity NPC159721
0.8718 High Similarity NPC472006
0.8718 High Similarity NPC167663
0.8718 High Similarity NPC84266
0.8712 High Similarity NPC257166
0.8712 High Similarity NPC271741
0.8712 High Similarity NPC287789
0.8712 High Similarity NPC1796
0.8712 High Similarity NPC317580
0.8712 High Similarity NPC475184
0.8712 High Similarity NPC201127
0.8706 High Similarity NPC300657
0.8706 High Similarity NPC3718
0.8704 High Similarity NPC258474
0.8704 High Similarity NPC89625
0.8704 High Similarity NPC201227
0.8704 High Similarity NPC318270
0.8704 High Similarity NPC149618
0.8698 High Similarity NPC4200
0.8698 High Similarity NPC473113
0.8696 High Similarity NPC208011
0.8696 High Similarity NPC43345

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477835 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
0.925 High Similarity NPD6959 Discontinued
0.8848 High Similarity NPD7852 Clinical (unspecified phase)
0.8841 High Similarity NPD6232 Discontinued
0.8795 High Similarity NPD7473 Discontinued
0.8758 High Similarity NPD7819 Suspended
0.8662 High Similarity NPD7390 Discontinued
0.8634 High Similarity NPD7411 Suspended
0.8537 High Similarity NPD7768 Phase 2
0.8491 Intermediate Similarity NPD2532 Approved
0.8491 Intermediate Similarity NPD2533 Approved
0.8491 Intermediate Similarity NPD2534 Approved
0.8485 Intermediate Similarity NPD3749 Approved
0.8476 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD5844 Phase 1
0.8418 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8373 Intermediate Similarity NPD7075 Discontinued
0.8344 Intermediate Similarity NPD4380 Phase 2
0.8333 Intermediate Similarity NPD8313 Approved
0.8333 Intermediate Similarity NPD8151 Discontinued
0.8333 Intermediate Similarity NPD8312 Approved
0.8313 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8282 Intermediate Similarity NPD3226 Approved
0.8269 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8228 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8217 Intermediate Similarity NPD5404 Approved
0.8217 Intermediate Similarity NPD5408 Approved
0.8217 Intermediate Similarity NPD5406 Approved
0.8217 Intermediate Similarity NPD5405 Approved
0.8193 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD7003 Approved
0.8114 Intermediate Similarity NPD6559 Discontinued
0.8113 Intermediate Similarity NPD1549 Phase 2
0.8081 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD6166 Phase 2
0.8081 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD1510 Phase 2
0.8037 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD1607 Approved
0.8024 Intermediate Similarity NPD6801 Discontinued
0.8012 Intermediate Similarity NPD3750 Approved
0.7968 Intermediate Similarity NPD7435 Discontinued
0.7965 Intermediate Similarity NPD5710 Approved
0.7965 Intermediate Similarity NPD5711 Approved
0.795 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD2346 Discontinued
0.7926 Intermediate Similarity NPD7870 Phase 2
0.7926 Intermediate Similarity NPD7871 Phase 2
0.7917 Intermediate Similarity NPD1934 Approved
0.7904 Intermediate Similarity NPD6599 Discontinued
0.7903 Intermediate Similarity NPD6778 Approved
0.7903 Intermediate Similarity NPD6779 Approved
0.7903 Intermediate Similarity NPD6780 Approved
0.7903 Intermediate Similarity NPD6782 Approved
0.7903 Intermediate Similarity NPD6776 Approved
0.7903 Intermediate Similarity NPD6781 Approved
0.7903 Intermediate Similarity NPD6777 Approved
0.7898 Intermediate Similarity NPD1240 Approved
0.7875 Intermediate Similarity NPD2935 Discontinued
0.7875 Intermediate Similarity NPD2796 Approved
0.787 Intermediate Similarity NPD1465 Phase 2
0.7849 Intermediate Similarity NPD5494 Approved
0.7844 Intermediate Similarity NPD7458 Discontinued
0.7841 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD7074 Phase 3
0.779 Intermediate Similarity NPD8150 Discontinued
0.7784 Intermediate Similarity NPD7177 Discontinued
0.7778 Intermediate Similarity NPD7698 Approved
0.7778 Intermediate Similarity NPD7696 Phase 3
0.7778 Intermediate Similarity NPD7697 Approved
0.7764 Intermediate Similarity NPD1551 Phase 2
0.7758 Intermediate Similarity NPD6799 Approved
0.7753 Intermediate Similarity NPD5953 Discontinued
0.774 Intermediate Similarity NPD7054 Approved
0.772 Intermediate Similarity NPD7874 Approved
0.772 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD5402 Approved
0.7719 Intermediate Similarity NPD3817 Phase 2
0.7711 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD3748 Approved
0.7697 Intermediate Similarity NPD7472 Approved
0.7684 Intermediate Similarity NPD3818 Discontinued
0.7683 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD3882 Suspended
0.7667 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD2801 Approved
0.7654 Intermediate Similarity NPD6797 Phase 2
0.7634 Intermediate Similarity NPD6534 Approved
0.7634 Intermediate Similarity NPD6535 Approved
0.7622 Intermediate Similarity NPD1243 Approved
0.7619 Intermediate Similarity NPD5403 Approved
0.7619 Intermediate Similarity NPD920 Approved
0.7617 Intermediate Similarity NPD7701 Phase 2
0.7611 Intermediate Similarity NPD7251 Discontinued
0.7602 Intermediate Similarity NPD37 Approved
0.7593 Intermediate Similarity NPD2799 Discontinued
0.759 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD7783 Phase 2
0.7586 Intermediate Similarity NPD6234 Discontinued
0.7584 Intermediate Similarity NPD3751 Discontinued
0.7584 Intermediate Similarity NPD7228 Approved
0.7576 Intermediate Similarity NPD4628 Phase 3
0.7572 Intermediate Similarity NPD4966 Approved
0.7572 Intermediate Similarity NPD4967 Phase 2
0.7572 Intermediate Similarity NPD4965 Approved
0.7569 Intermediate Similarity NPD7808 Phase 3
0.7557 Intermediate Similarity NPD7229 Phase 3
0.7552 Intermediate Similarity NPD8320 Phase 1
0.7552 Intermediate Similarity NPD8319 Approved
0.7546 Intermediate Similarity NPD6100 Approved
0.7546 Intermediate Similarity NPD6099 Approved
0.7545 Intermediate Similarity NPD1511 Approved
0.7539 Intermediate Similarity NPD6823 Phase 2
0.7515 Intermediate Similarity NPD2800 Approved
0.7515 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4287 Approved
0.7513 Intermediate Similarity NPD7699 Phase 2
0.7513 Intermediate Similarity NPD7700 Phase 2
0.7512 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD5401 Approved
0.75 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7801 Approved
0.7485 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD6651 Approved
0.7458 Intermediate Similarity NPD3787 Discontinued
0.7457 Intermediate Similarity NPD8455 Phase 2
0.7456 Intermediate Similarity NPD6273 Approved
0.7456 Intermediate Similarity NPD1512 Approved
0.7452 Intermediate Similarity NPD1470 Approved
0.7446 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7286 Phase 2
0.7438 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD3764 Approved
0.7438 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD3926 Phase 2
0.7394 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD6212 Phase 3
0.7394 Intermediate Similarity NPD6213 Phase 3
0.7389 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD919 Approved
0.7375 Intermediate Similarity NPD4625 Phase 3
0.7368 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD2313 Discontinued
0.7321 Intermediate Similarity NPD2309 Approved
0.7312 Intermediate Similarity NPD4908 Phase 1
0.7303 Intermediate Similarity NPD7199 Phase 2
0.7301 Intermediate Similarity NPD230 Phase 1
0.7292 Intermediate Similarity NPD8285 Discontinued
0.7278 Intermediate Similarity NPD1283 Approved
0.7254 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD943 Approved
0.7229 Intermediate Similarity NPD2438 Suspended
0.7228 Intermediate Similarity NPD7240 Approved
0.7222 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8434 Phase 2
0.7205 Intermediate Similarity NPD6832 Phase 2
0.7197 Intermediate Similarity NPD1201 Approved
0.7189 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD8166 Discontinued
0.7143 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2979 Phase 3
0.7129 Intermediate Similarity NPD7654 Discontinued
0.7125 Intermediate Similarity NPD1203 Approved
0.7121 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD4288 Approved
0.7111 Intermediate Similarity NPD1247 Approved
0.7091 Intermediate Similarity NPD5124 Phase 1
0.7091 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD1281 Approved
0.7083 Intermediate Similarity NPD4363 Phase 3
0.7083 Intermediate Similarity NPD4360 Phase 2
0.7081 Intermediate Similarity NPD2798 Approved
0.707 Intermediate Similarity NPD4626 Approved
0.7066 Intermediate Similarity NPD7033 Discontinued
0.7066 Intermediate Similarity NPD4308 Phase 3
0.7056 Intermediate Similarity NPD6746 Phase 2
0.7055 Intermediate Similarity NPD7008 Discontinued
0.7019 Intermediate Similarity NPD1164 Approved
0.7018 Intermediate Similarity NPD6190 Approved
0.7012 Intermediate Similarity NPD3268 Approved
0.7012 Intermediate Similarity NPD411 Approved
0.7012 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD1651 Approved
0.7006 Intermediate Similarity NPD5691 Approved
0.7 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8059 Phase 3
0.6988 Remote Similarity NPD1899 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581370
ZINC  

Physicochemical Properties

Molecular Weight:  556.14
ALogP:  -1.8582
MLogP:  3.77
XLogP:  2.218
# Rotatable Bonds:  11
Polar Surface Area:  159.82
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  41

Download Data

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