Natural Product: NPC106818

Natural Product ID:  NPC106818
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H48O18
Standard InCHIKey:  DPVXAVLHDIAHDO-CVIHBIPCSA-N
Standard InCHI:  InChI=1S/C37H48O18/c1-18-29(45)30(46)31(47)36(52-18)55-34-32(48)35(50-13-10-20-3-6-23(40)25(42)15-20)53-26(17-51-28(44)16-37(49)11-8-21(38)9-12-37)33(34)54-27(43)7-4-19-2-5-22(39)24(41)14-19/h2-7,14-15,18,21,26,29-36,38-42,45-49H,8-13,16-17H2,1H3/b7-4+/t18-,21-,26+,29-,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1
Canonical SMILES:  O[C@@H]1CC[C@@](CC1)(O)CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)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
NPO28152 Jacaranda caucana Species Bignoniaceae Eukaryota PMID[19361168]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 0.098 25302529
NPT2 Others Unspecified EC50 = 1270 nM 10425143

  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 NPC106818 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
0.9795 High Similarity NPC87403
0.932 High Similarity NPC473138
0.932 High Similarity NPC28776
0.9241 High Similarity NPC476375
0.9241 High Similarity NPC175214
0.9241 High Similarity NPC96795
0.9241 High Similarity NPC247032
0.9241 High Similarity NPC264632
0.9241 High Similarity NPC476380
0.9241 High Similarity NPC476378
0.9241 High Similarity NPC205864
0.9241 High Similarity NPC476381
0.9241 High Similarity NPC269141
0.9241 High Similarity NPC112
0.9241 High Similarity NPC476397
0.9241 High Similarity NPC119537
0.9241 High Similarity NPC298257
0.9241 High Similarity NPC76406
0.9241 High Similarity NPC476384
0.9236 High Similarity NPC476377
0.9236 High Similarity NPC47471
0.9184 High Similarity NPC229505
0.9178 High Similarity NPC196063
0.9178 High Similarity NPC300894
0.9178 High Similarity NPC64195
0.9178 High Similarity NPC296954
0.9178 High Similarity NPC141455
0.9167 High Similarity NPC475530
0.9167 High Similarity NPC473799
0.911 High Similarity NPC105005
0.9103 High Similarity NPC476385
0.9103 High Similarity NPC134405
0.9097 High Similarity NPC64141
0.9097 High Similarity NPC197316
0.9097 High Similarity NPC472350
0.9097 High Similarity NPC68092
0.9097 High Similarity NPC89105
0.9097 High Similarity NPC476383
0.9097 High Similarity NPC205195
0.9097 High Similarity NPC81515
0.9041 High Similarity NPC222433
0.9041 High Similarity NPC265648
0.9038 High Similarity NPC471873
0.9028 High Similarity NPC260425
0.902 High Similarity NPC131532
0.8974 High Similarity NPC471869
0.8933 High Similarity NPC23677
0.8897 High Similarity NPC78363
0.8897 High Similarity NPC476376
0.8889 High Similarity NPC471874
0.8874 High Similarity NPC306890
0.8874 High Similarity NPC471062
0.8874 High Similarity NPC473427
0.8874 High Similarity NPC476386
0.8874 High Similarity NPC470933
0.8874 High Similarity NPC259347
0.8874 High Similarity NPC94871
0.8874 High Similarity NPC476398
0.8851 High Similarity NPC40305
0.8836 High Similarity NPC321638
0.8836 High Similarity NPC328273
0.8836 High Similarity NPC171134
0.8836 High Similarity NPC321184
0.8819 High Similarity NPC886
0.8819 High Similarity NPC287597
0.8819 High Similarity NPC34293
0.8816 High Similarity NPC470934
0.8816 High Similarity NPC257970
0.8816 High Similarity NPC188393
0.8816 High Similarity NPC470927
0.8812 High Similarity NPC128403
0.8797 High Similarity NPC246024
0.8784 High Similarity NPC148080
0.8784 High Similarity NPC469623
0.8759 High Similarity NPC263829
0.8759 High Similarity NPC123988
0.8758 High Similarity NPC471870
0.875 High Similarity NPC478242
0.8742 High Similarity NPC232992
0.8742 High Similarity NPC322660
0.8742 High Similarity NPC227297
0.8733 High Similarity NPC34587
0.8733 High Similarity NPC100998
0.8733 High Similarity NPC34927
0.8733 High Similarity NPC476382
0.8733 High Similarity NPC252292
0.8707 High Similarity NPC220942
0.8693 High Similarity NPC12006
0.8693 High Similarity NPC69367
0.869 High Similarity NPC106406
0.8684 High Similarity NPC192568
0.8684 High Similarity NPC471076
0.8681 High Similarity NPC473285
0.8671 High Similarity NPC44507
0.8658 High Similarity NPC296643
0.8639 High Similarity NPC310252
0.8639 High Similarity NPC84789
0.8639 High Similarity NPC302583
0.8639 High Similarity NPC100558
0.863 High Similarity NPC180171
0.863 High Similarity NPC103398
0.863 High Similarity NPC476870
0.863 High Similarity NPC158325
0.8611 High Similarity NPC235294
0.8611 High Similarity NPC46137
0.8608 High Similarity NPC469654
0.86 High Similarity NPC43158
0.86 High Similarity NPC192831
0.86 High Similarity NPC258469
0.86 High Similarity NPC472016
0.86 High Similarity NPC277315
0.8598 High Similarity NPC471871
0.8571 High Similarity NPC476871
0.8571 High Similarity NPC470572
0.8562 High Similarity NPC300262
0.8562 High Similarity NPC3460
0.8562 High Similarity NPC471883
0.8562 High Similarity NPC215095
0.8562 High Similarity NPC201148
0.8562 High Similarity NPC261122
0.8562 High Similarity NPC210611
0.8562 High Similarity NPC199311
0.8562 High Similarity NPC80732
0.8562 High Similarity NPC192763
0.8562 High Similarity NPC28651
0.8553 High Similarity NPC476865
0.8544 High Similarity NPC172419
0.8544 High Similarity NPC40920
0.8544 High Similarity NPC226759
0.8544 High Similarity NPC238419
0.8544 High Similarity NPC223335
0.8544 High Similarity NPC187205
0.8543 High Similarity NPC476867
0.8537 High Similarity NPC102851
0.8537 High Similarity NPC5786
0.8533 High Similarity NPC140502
0.8533 High Similarity NPC471027
0.8533 High Similarity NPC13818
0.8533 High Similarity NPC206095
0.8533 High Similarity NPC224389
0.8533 High Similarity NPC35702
0.8533 High Similarity NPC477335
0.8533 High Similarity NPC297517
0.8528 High Similarity NPC658
0.8528 High Similarity NPC197708
0.8526 High Similarity NPC44260
0.8526 High Similarity NPC61152
0.8526 High Similarity NPC16024
0.8526 High Similarity NPC3746
0.8526 High Similarity NPC205037
0.8516 High Similarity NPC125823
0.8516 High Similarity NPC140151
0.8516 High Similarity NPC85192
0.8516 High Similarity NPC7145
0.8516 High Similarity NPC143480
0.8516 High Similarity NPC477334
0.8509 High Similarity NPC109990
0.8493 Intermediate Similarity NPC254398
0.8491 Intermediate Similarity NPC318826
0.8491 Intermediate Similarity NPC104222
0.8491 Intermediate Similarity NPC141331
0.8491 Intermediate Similarity NPC210501
0.8491 Intermediate Similarity NPC469384
0.8491 Intermediate Similarity NPC114791
0.8487 Intermediate Similarity NPC476868
0.8487 Intermediate Similarity NPC476869
0.8487 Intermediate Similarity NPC476864
0.8487 Intermediate Similarity NPC216819
0.8487 Intermediate Similarity NPC477333
0.8487 Intermediate Similarity NPC262182
0.8487 Intermediate Similarity NPC83743
0.8487 Intermediate Similarity NPC476866
0.8487 Intermediate Similarity NPC287615
0.8483 Intermediate Similarity NPC138777
0.8483 Intermediate Similarity NPC225384
0.8483 Intermediate Similarity NPC246869
0.8481 Intermediate Similarity NPC239019
0.8481 Intermediate Similarity NPC247629
0.8477 Intermediate Similarity NPC284948
0.8477 Intermediate Similarity NPC220664
0.8477 Intermediate Similarity NPC37331
0.8477 Intermediate Similarity NPC303090
0.8477 Intermediate Similarity NPC319628
0.8472 Intermediate Similarity NPC229784
0.8472 Intermediate Similarity NPC477294
0.8472 Intermediate Similarity NPC477293
0.8471 Intermediate Similarity NPC160882
0.8462 Intermediate Similarity NPC478268
0.8452 Intermediate Similarity NPC469371
0.8447 Intermediate Similarity NPC145847
0.8446 Intermediate Similarity NPC471345
0.8442 Intermediate Similarity NPC116229
0.8431 Intermediate Similarity NPC473867
0.8428 Intermediate Similarity NPC471878
0.8428 Intermediate Similarity NPC286919
0.8428 Intermediate Similarity NPC475663
0.8428 Intermediate Similarity NPC133984
0.8425 Intermediate Similarity NPC254275
0.8425 Intermediate Similarity NPC473924
0.8424 Intermediate Similarity NPC135334

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC106818 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
0.9097 High Similarity NPD7266 Discontinued
0.8477 Intermediate Similarity NPD6190 Approved
0.8253 Intermediate Similarity NPD7472 Approved
0.8193 Intermediate Similarity NPD7054 Approved
0.8155 Intermediate Similarity NPD7251 Discontinued
0.8144 Intermediate Similarity NPD7074 Phase 3
0.8107 Intermediate Similarity NPD7808 Phase 3
0.8095 Intermediate Similarity NPD6797 Phase 2
0.8047 Intermediate Similarity NPD7685 Pre-registration
0.8024 Intermediate Similarity NPD7228 Approved
0.7901 Intermediate Similarity NPD8455 Phase 2
0.7895 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD8313 Approved
0.7849 Intermediate Similarity NPD8312 Approved
0.7821 Intermediate Similarity NPD8166 Discontinued
0.774 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD3818 Discontinued
0.7702 Intermediate Similarity NPD1653 Approved
0.7697 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6166 Phase 2
0.7692 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD7240 Approved
0.7605 Intermediate Similarity NPD6234 Discontinued
0.7515 Intermediate Similarity NPD37 Approved
0.7485 Intermediate Similarity NPD4965 Approved
0.7485 Intermediate Similarity NPD4967 Phase 2
0.7485 Intermediate Similarity NPD4966 Approved
0.7429 Intermediate Similarity NPD6559 Discontinued
0.7419 Intermediate Similarity NPD230 Phase 1
0.7416 Intermediate Similarity NPD8150 Discontinued
0.741 Intermediate Similarity NPD1934 Approved
0.7399 Intermediate Similarity NPD3751 Discontinued
0.7365 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7700 Phase 2
0.7337 Intermediate Similarity NPD7699 Phase 2
0.7317 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD4380 Phase 2
0.7287 Intermediate Similarity NPD8319 Approved
0.7287 Intermediate Similarity NPD8320 Phase 1
0.7267 Intermediate Similarity NPD3787 Discontinued
0.7262 Intermediate Similarity NPD2801 Approved
0.7257 Intermediate Similarity NPD5844 Phase 1
0.7235 Intermediate Similarity NPD7075 Discontinued
0.7234 Intermediate Similarity NPD7680 Approved
0.7234 Intermediate Similarity NPD7435 Discontinued
0.7225 Intermediate Similarity NPD8151 Discontinued
0.7219 Intermediate Similarity NPD3817 Phase 2
0.7219 Intermediate Similarity NPD5402 Approved
0.7209 Intermediate Similarity NPD7199 Phase 2
0.7209 Intermediate Similarity NPD8127 Discontinued
0.7204 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6233 Phase 2
0.7174 Intermediate Similarity NPD6535 Approved
0.7174 Intermediate Similarity NPD6534 Approved
0.7161 Intermediate Similarity NPD3027 Phase 3
0.716 Intermediate Similarity NPD4628 Phase 3
0.715 Intermediate Similarity NPD7783 Phase 2
0.715 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7698 Approved
0.7143 Intermediate Similarity NPD7697 Approved
0.7143 Intermediate Similarity NPD7696 Phase 3
0.7134 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3455 Phase 2
0.7125 Intermediate Similarity NPD2935 Discontinued
0.7115 Intermediate Similarity NPD3764 Approved
0.7107 Intermediate Similarity NPD7097 Phase 1
0.7105 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD7874 Approved
0.7098 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD6823 Phase 2
0.7083 Intermediate Similarity NPD7701 Phase 2
0.7076 Intermediate Similarity NPD3882 Suspended
0.7074 Intermediate Similarity NPD6777 Approved
0.7074 Intermediate Similarity NPD6782 Approved
0.7074 Intermediate Similarity NPD6776 Approved
0.7074 Intermediate Similarity NPD6779 Approved
0.7074 Intermediate Similarity NPD6778 Approved
0.7074 Intermediate Similarity NPD6781 Approved
0.7074 Intermediate Similarity NPD6780 Approved
0.7069 Intermediate Similarity NPD6232 Discontinued
0.7059 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7819 Suspended
0.7059 Intermediate Similarity NPD1465 Phase 2
0.7045 Intermediate Similarity NPD7473 Discontinued
0.703 Intermediate Similarity NPD1511 Approved
0.7029 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1613 Approved
0.7025 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7458 Discontinued
0.7016 Intermediate Similarity NPD7870 Phase 2
0.7016 Intermediate Similarity NPD7871 Phase 2
0.7006 Intermediate Similarity NPD5403 Approved
0.6994 Remote Similarity NPD6674 Discontinued
0.6988 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1933 Approved
0.6977 Remote Similarity NPD7768 Phase 2
0.6954 Remote Similarity NPD5494 Approved
0.6946 Remote Similarity NPD1512 Approved
0.6941 Remote Similarity NPD7411 Suspended
0.694 Remote Similarity NPD8434 Phase 2
0.6935 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6212 Phase 3
0.6935 Remote Similarity NPD6213 Phase 3
0.6933 Remote Similarity NPD9545 Approved
0.6919 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6918 Remote Similarity NPD943 Approved
0.6914 Remote Similarity NPD9570 Approved
0.6901 Remote Similarity NPD6801 Discontinued
0.6899 Remote Similarity NPD6798 Discontinued
0.6894 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6888 Remote Similarity NPD7801 Approved
0.6886 Remote Similarity NPD5401 Approved
0.6872 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7033 Discontinued
0.6848 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7095 Approved
0.6831 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6799 Approved
0.6818 Remote Similarity NPD6959 Discontinued
0.6818 Remote Similarity NPD9269 Phase 2
0.6816 Remote Similarity NPD7799 Discontinued
0.681 Remote Similarity NPD5408 Approved
0.681 Remote Similarity NPD5406 Approved
0.681 Remote Similarity NPD5404 Approved
0.681 Remote Similarity NPD5405 Approved
0.6792 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6772 Remote Similarity NPD1529 Clinical (unspecified phase)
0.677 Remote Similarity NPD447 Suspended
0.677 Remote Similarity NPD6355 Discontinued
0.6758 Remote Similarity NPD7038 Approved
0.6758 Remote Similarity NPD7039 Approved
0.6753 Remote Similarity NPD1091 Approved
0.675 Remote Similarity NPD6663 Approved
0.6749 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6386 Approved
0.6744 Remote Similarity NPD6385 Approved
0.6727 Remote Similarity NPD1549 Phase 2
0.6709 Remote Similarity NPD5736 Approved
0.6709 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6709 Remote Similarity NPD9494 Approved
0.6708 Remote Similarity NPD826 Approved
0.6708 Remote Similarity NPD825 Approved
0.6686 Remote Similarity NPD7028 Phase 2
0.6686 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6832 Phase 2
0.6667 Remote Similarity NPD8368 Discontinued
0.6667 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3021 Approved
0.6667 Remote Similarity NPD3022 Approved
0.6647 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6647 Remote Similarity NPD4110 Phase 3
0.6647 Remote Similarity NPD3750 Approved
0.6647 Remote Similarity NPD6273 Approved
0.6646 Remote Similarity NPD1510 Phase 2
0.6646 Remote Similarity NPD4062 Phase 3
0.6645 Remote Similarity NPD3705 Approved
0.6645 Remote Similarity NPD5536 Phase 2
0.6633 Remote Similarity NPD7211 Clinical (unspecified phase)
0.663 Remote Similarity NPD7549 Discontinued
0.6628 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6628 Remote Similarity NPD3226 Approved
0.6627 Remote Similarity NPD970 Clinical (unspecified phase)
0.6626 Remote Similarity NPD6653 Approved
0.6625 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6617 Remote Similarity NPD7930 Approved
0.6606 Remote Similarity NPD1551 Phase 2
0.6599 Remote Similarity NPD7584 Approved
0.6596 Remote Similarity NPD8360 Approved
0.6596 Remote Similarity NPD8361 Approved
0.659 Remote Similarity NPD6599 Discontinued
0.6588 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9493 Approved
0.6568 Remote Similarity NPD5058 Phase 3
0.6566 Remote Similarity NPD7585 Approved
0.6566 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6564 Remote Similarity NPD555 Phase 2
0.6559 Remote Similarity NPD8407 Phase 2
0.6558 Remote Similarity NPD9268 Approved
0.6558 Remote Similarity NPD1357 Approved
0.6554 Remote Similarity NPD3749 Approved
0.6548 Remote Similarity NPD7999 Approved
0.6548 Remote Similarity NPD3400 Discontinued
0.6545 Remote Similarity NPD651 Clinical (unspecified phase)
0.6538 Remote Similarity NPD1535 Discovery
0.6534 Remote Similarity NPD5353 Approved
0.6529 Remote Similarity NPD7390 Discontinued
0.6516 Remote Similarity NPD5125 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL540151
ZINC  

Physicochemical Properties

Molecular Weight:  780.28
ALogP:  -5.2145
MLogP:  3.55
XLogP:  0.669
# Rotatable Bonds:  26
Polar Surface Area:  291.82
# H-Bond Aceptor:  14
# H-Bond Donor:  10
# Rings:  5
# Heavy Atoms:  55

Download Data

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