Natural Product: NPC34984

Natural Product ID:  NPC34984
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O5
Standard InCHIKey:  YETGYQIKUDKAEF-BCTIHHIESA-N
Standard InCHI:  InChI=1S/C30H46O5/c1-24(2)13-20-29(22(33)14-24)17-35-30(20)12-8-19-25(3)10-9-21(32)26(4,16-31)18(25)7-11-27(19,5)28(30,6)15-23(29)34/h18-20,22,31,33H,7-17H2,1-6H3/t18-,19-,20-,22+,25+,26+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  OC[C@]1(C)C(=O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@]23[C@@]1(C)CC(=O)[C@@]1([C@H]3CC(C[C@@H]1O)(C)C)CO2)C)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
NPO33016 lysimachia parvifolia Species Primulaceae Eukaryota PMID[23911853]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2015 Cell Line U-266 Homo sapiens IC50 > 100000 nM 18341287
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 22197393
NPT515 Cell Line SGC-7901 Homo sapiens IC50 > 100000 nM 12027740
NPT65 Cell Line HepG2 Homo sapiens IC50 > 100000 nM 10.1021/np50014a012
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 23738539
NPT2 Others Unspecified IC50 > 100000 nM 23501116

  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 NPC34984 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
1.0 High Similarity NPC25037
0.9615 High Similarity NPC50658
0.9024 High Similarity NPC105895
0.8889 High Similarity NPC280781
0.8889 High Similarity NPC48756
0.8734 High Similarity NPC108840
0.8718 High Similarity NPC159325
0.8718 High Similarity NPC168511
0.869 High Similarity NPC62572
0.859 High Similarity NPC477229
0.859 High Similarity NPC282905
0.859 High Similarity NPC68426
0.8571 High Similarity NPC473299
0.8519 High Similarity NPC472608
0.8506 High Similarity NPC67653
0.8506 High Similarity NPC471459
0.8478 Intermediate Similarity NPC80417
0.8434 Intermediate Similarity NPC271572
0.8434 Intermediate Similarity NPC474870
0.8415 Intermediate Similarity NPC73013
0.8395 Intermediate Similarity NPC23884
0.8375 Intermediate Similarity NPC267753
0.8354 Intermediate Similarity NPC253805
0.8298 Intermediate Similarity NPC80640
0.8295 Intermediate Similarity NPC61688
0.8293 Intermediate Similarity NPC31031
0.8293 Intermediate Similarity NPC243594
0.825 Intermediate Similarity NPC130011
0.8235 Intermediate Similarity NPC269684
0.8228 Intermediate Similarity NPC247195
0.8222 Intermediate Similarity NPC472148
0.8222 Intermediate Similarity NPC472147
0.8202 Intermediate Similarity NPC185529
0.8202 Intermediate Similarity NPC472146
0.8171 Intermediate Similarity NPC307865
0.8161 Intermediate Similarity NPC83242
0.8152 Intermediate Similarity NPC235109
0.8152 Intermediate Similarity NPC163685
0.8148 Intermediate Similarity NPC97534
0.8148 Intermediate Similarity NPC195155
0.8148 Intermediate Similarity NPC174964
0.814 Intermediate Similarity NPC237938
0.814 Intermediate Similarity NPC477434
0.814 Intermediate Similarity NPC50438
0.814 Intermediate Similarity NPC219535
0.814 Intermediate Similarity NPC474996
0.8132 Intermediate Similarity NPC309127
0.8132 Intermediate Similarity NPC247877
0.8125 Intermediate Similarity NPC267637
0.8125 Intermediate Similarity NPC81759
0.8118 Intermediate Similarity NPC289486
0.8118 Intermediate Similarity NPC61107
0.8077 Intermediate Similarity NPC103647
0.8077 Intermediate Similarity NPC180777
0.8077 Intermediate Similarity NPC2568
0.8077 Intermediate Similarity NPC260319
0.8072 Intermediate Similarity NPC26029
0.8049 Intermediate Similarity NPC5767
0.8049 Intermediate Similarity NPC475742
0.8043 Intermediate Similarity NPC82633
0.8041 Intermediate Similarity NPC273189
0.8041 Intermediate Similarity NPC184805
0.8 Intermediate Similarity NPC89310
0.8 Intermediate Similarity NPC58631
0.8 Intermediate Similarity NPC18536
0.8 Intermediate Similarity NPC88337
0.8 Intermediate Similarity NPC475211
0.8 Intermediate Similarity NPC476071
0.8 Intermediate Similarity NPC50443
0.7979 Intermediate Similarity NPC472144
0.7979 Intermediate Similarity NPC164349
0.7978 Intermediate Similarity NPC3032
0.7978 Intermediate Similarity NPC131104
0.7978 Intermediate Similarity NPC477614
0.7978 Intermediate Similarity NPC226491
0.7978 Intermediate Similarity NPC473319
0.7978 Intermediate Similarity NPC471221
0.7959 Intermediate Similarity NPC471430
0.7955 Intermediate Similarity NPC120395
0.7952 Intermediate Similarity NPC475031
0.7952 Intermediate Similarity NPC221420
0.7935 Intermediate Similarity NPC206878
0.7931 Intermediate Similarity NPC319909
0.7931 Intermediate Similarity NPC473336
0.7931 Intermediate Similarity NPC471044
0.7907 Intermediate Similarity NPC13494
0.7901 Intermediate Similarity NPC232112
0.7901 Intermediate Similarity NPC474755
0.7889 Intermediate Similarity NPC477440
0.7889 Intermediate Similarity NPC477443
0.7882 Intermediate Similarity NPC261616
0.7872 Intermediate Similarity NPC472145
0.7865 Intermediate Similarity NPC263802
0.7865 Intermediate Similarity NPC252714
0.7848 Intermediate Similarity NPC475977
0.7841 Intermediate Similarity NPC131350
0.7841 Intermediate Similarity NPC477445
0.7831 Intermediate Similarity NPC472487
0.7831 Intermediate Similarity NPC472486
0.7826 Intermediate Similarity NPC476189
0.7816 Intermediate Similarity NPC217559
0.7816 Intermediate Similarity NPC327451
0.7816 Intermediate Similarity NPC472744
0.7816 Intermediate Similarity NPC292458
0.7816 Intermediate Similarity NPC268578
0.7802 Intermediate Similarity NPC477444
0.7802 Intermediate Similarity NPC477442
0.7802 Intermediate Similarity NPC477433
0.78 Intermediate Similarity NPC87393
0.7778 Intermediate Similarity NPC156277
0.7778 Intermediate Similarity NPC90676
0.7778 Intermediate Similarity NPC290058
0.7778 Intermediate Similarity NPC58057
0.7778 Intermediate Similarity NPC320549
0.7778 Intermediate Similarity NPC151018
0.7766 Intermediate Similarity NPC116683
0.7765 Intermediate Similarity NPC275243
0.7753 Intermediate Similarity NPC80700
0.775 Intermediate Similarity NPC6120
0.775 Intermediate Similarity NPC327728
0.775 Intermediate Similarity NPC131892
0.775 Intermediate Similarity NPC213178
0.7738 Intermediate Similarity NPC143133
0.7738 Intermediate Similarity NPC207010
0.7738 Intermediate Similarity NPC317913
0.7738 Intermediate Similarity NPC477918
0.7738 Intermediate Similarity NPC298168
0.7727 Intermediate Similarity NPC475689
0.7723 Intermediate Similarity NPC66513
0.7723 Intermediate Similarity NPC470622
0.7711 Intermediate Similarity NPC21220
0.7711 Intermediate Similarity NPC273366
0.7711 Intermediate Similarity NPC125767
0.7701 Intermediate Similarity NPC328007
0.7701 Intermediate Similarity NPC317066
0.7701 Intermediate Similarity NPC268040
0.7701 Intermediate Similarity NPC30583
0.77 Intermediate Similarity NPC207693
0.7683 Intermediate Similarity NPC475230
0.7683 Intermediate Similarity NPC109510
0.7667 Intermediate Similarity NPC202937
0.766 Intermediate Similarity NPC287354
0.766 Intermediate Similarity NPC62407
0.7647 Intermediate Similarity NPC475725
0.7634 Intermediate Similarity NPC471902
0.7634 Intermediate Similarity NPC473690
0.7634 Intermediate Similarity NPC287118
0.7624 Intermediate Similarity NPC22709
0.7619 Intermediate Similarity NPC477932
0.7619 Intermediate Similarity NPC4209
0.7619 Intermediate Similarity NPC477933
0.7609 Intermediate Similarity NPC470114
0.759 Intermediate Similarity NPC254340
0.7586 Intermediate Similarity NPC475743
0.7586 Intermediate Similarity NPC469745
0.7579 Intermediate Similarity NPC132824
0.7579 Intermediate Similarity NPC223169
0.7576 Intermediate Similarity NPC327093
0.7561 Intermediate Similarity NPC109457
0.7561 Intermediate Similarity NPC100586
0.7561 Intermediate Similarity NPC157422
0.7558 Intermediate Similarity NPC80891
0.7558 Intermediate Similarity NPC320144
0.7558 Intermediate Similarity NPC201276
0.7556 Intermediate Similarity NPC92139
0.7556 Intermediate Similarity NPC248216
0.7529 Intermediate Similarity NPC471151
0.7529 Intermediate Similarity NPC264602
0.7529 Intermediate Similarity NPC112463
0.7528 Intermediate Similarity NPC181871
0.7528 Intermediate Similarity NPC474482
0.7528 Intermediate Similarity NPC9060
0.7528 Intermediate Similarity NPC65133
0.7528 Intermediate Similarity NPC475745
0.7527 Intermediate Similarity NPC235704
0.7527 Intermediate Similarity NPC475416
0.7527 Intermediate Similarity NPC471901
0.7527 Intermediate Similarity NPC475878
0.75 Intermediate Similarity NPC472984
0.75 Intermediate Similarity NPC253618
0.75 Intermediate Similarity NPC477934
0.75 Intermediate Similarity NPC208912
0.75 Intermediate Similarity NPC477935
0.75 Intermediate Similarity NPC159789
0.75 Intermediate Similarity NPC77001
0.75 Intermediate Similarity NPC200580
0.75 Intermediate Similarity NPC179858
0.75 Intermediate Similarity NPC253586
0.75 Intermediate Similarity NPC213832
0.75 Intermediate Similarity NPC2096
0.75 Intermediate Similarity NPC212733
0.75 Intermediate Similarity NPC57954
0.7474 Intermediate Similarity NPC17336
0.7474 Intermediate Similarity NPC210214
0.7473 Intermediate Similarity NPC57469
0.7471 Intermediate Similarity NPC470609
0.7449 Intermediate Similarity NPC477172
0.7449 Intermediate Similarity NPC178853
0.7449 Intermediate Similarity NPC235142
0.7447 Intermediate Similarity NPC474379

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC34984 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
0.7778 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6116 Phase 1
0.7619 Intermediate Similarity NPD6117 Approved
0.75 Intermediate Similarity NPD3703 Phase 2
0.7442 Intermediate Similarity NPD6697 Approved
0.7442 Intermediate Similarity NPD6115 Approved
0.7442 Intermediate Similarity NPD6114 Approved
0.7442 Intermediate Similarity NPD6118 Approved
0.7439 Intermediate Similarity NPD4244 Approved
0.7439 Intermediate Similarity NPD4245 Approved
0.7407 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD5360 Phase 3
0.7381 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD8035 Phase 2
0.734 Intermediate Similarity NPD8034 Phase 2
0.7317 Intermediate Similarity NPD3698 Phase 2
0.7229 Intermediate Similarity NPD4789 Approved
0.7143 Intermediate Similarity NPD7902 Approved
0.7108 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3671 Phase 1
0.7037 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7748 Approved
0.6979 Remote Similarity NPD7515 Phase 2
0.6941 Remote Similarity NPD5777 Approved
0.6941 Remote Similarity NPD4758 Discontinued
0.6893 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5364 Discontinued
0.6837 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6837 Remote Similarity NPD7900 Approved
0.6747 Remote Similarity NPD4224 Phase 2
0.6744 Remote Similarity NPD6081 Approved
0.6705 Remote Similarity NPD3702 Approved
0.6698 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6632 Remote Similarity NPD3618 Phase 1
0.6593 Remote Similarity NPD7645 Phase 2
0.6566 Remote Similarity NPD6399 Phase 3
0.6522 Remote Similarity NPD6928 Phase 2
0.6518 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6675 Approved
0.6509 Remote Similarity NPD6402 Approved
0.6509 Remote Similarity NPD7128 Approved
0.6509 Remote Similarity NPD5739 Approved
0.6489 Remote Similarity NPD4788 Approved
0.6481 Remote Similarity NPD6373 Approved
0.6481 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6481 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD4755 Approved
0.6458 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6437 Remote Similarity NPD4787 Phase 1
0.6429 Remote Similarity NPD5328 Approved
0.6421 Remote Similarity NPD4786 Approved
0.64 Remote Similarity NPD4202 Approved
0.6395 Remote Similarity NPD229 Approved
0.6389 Remote Similarity NPD7320 Approved
0.6389 Remote Similarity NPD6899 Approved
0.6389 Remote Similarity NPD6881 Approved
0.6383 Remote Similarity NPD3667 Approved
0.6372 Remote Similarity NPD7115 Discovery
0.6364 Remote Similarity NPD6650 Approved
0.6364 Remote Similarity NPD6649 Approved
0.6355 Remote Similarity NPD6920 Discontinued
0.6346 Remote Similarity NPD4696 Approved
0.6346 Remote Similarity NPD5285 Approved
0.6346 Remote Similarity NPD4700 Approved
0.6346 Remote Similarity NPD5286 Approved
0.6344 Remote Similarity NPD7525 Registered
0.6325 Remote Similarity NPD8328 Phase 3
0.63 Remote Similarity NPD6079 Approved
0.6296 Remote Similarity NPD5697 Approved
0.6296 Remote Similarity NPD5701 Approved
0.6286 Remote Similarity NPD1700 Approved
0.6273 Remote Similarity NPD7102 Approved
0.6273 Remote Similarity NPD7290 Approved
0.6273 Remote Similarity NPD6883 Approved
0.625 Remote Similarity NPD8133 Approved
0.6238 Remote Similarity NPD8171 Discontinued
0.6226 Remote Similarity NPD5224 Approved
0.6226 Remote Similarity NPD5226 Approved
0.6226 Remote Similarity NPD5211 Phase 2
0.6226 Remote Similarity NPD5225 Approved
0.6226 Remote Similarity NPD4633 Approved
0.6216 Remote Similarity NPD6869 Approved
0.6216 Remote Similarity NPD6847 Approved
0.6216 Remote Similarity NPD6617 Approved
0.6216 Remote Similarity NPD8130 Phase 1
0.6214 Remote Similarity NPD4697 Phase 3
0.6207 Remote Similarity NPD6059 Approved
0.6207 Remote Similarity NPD6054 Approved
0.6182 Remote Similarity NPD6013 Approved
0.6182 Remote Similarity NPD6014 Approved
0.6182 Remote Similarity NPD6012 Approved
0.6168 Remote Similarity NPD5175 Approved
0.6168 Remote Similarity NPD5174 Approved
0.6161 Remote Similarity NPD8297 Approved
0.6161 Remote Similarity NPD6882 Approved
0.6154 Remote Similarity NPD6083 Phase 2
0.6154 Remote Similarity NPD6084 Phase 2
0.6132 Remote Similarity NPD5223 Approved
0.6126 Remote Similarity NPD4634 Approved
0.6116 Remote Similarity NPD7736 Approved
0.6111 Remote Similarity NPD5141 Approved
0.6102 Remote Similarity NPD6370 Approved
0.61 Remote Similarity NPD4753 Phase 2
0.6095 Remote Similarity NPD4225 Approved
0.6095 Remote Similarity NPD7638 Approved
0.6091 Remote Similarity NPD6011 Approved
0.6082 Remote Similarity NPD3133 Approved
0.6082 Remote Similarity NPD3666 Approved
0.6082 Remote Similarity NPD3665 Phase 1
0.6071 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6058 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6058 Remote Similarity NPD5222 Approved
0.6058 Remote Similarity NPD5221 Approved
0.6055 Remote Similarity NPD4768 Approved
0.6055 Remote Similarity NPD4767 Approved
0.6047 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7640 Approved
0.6038 Remote Similarity NPD8418 Phase 2
0.6038 Remote Similarity NPD7639 Approved
0.6036 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6019 Remote Similarity NPD4754 Approved
0.6017 Remote Similarity NPD6921 Approved
0.6017 Remote Similarity NPD6016 Approved
0.6017 Remote Similarity NPD6015 Approved
0.6 Remote Similarity NPD7492 Approved
0.6 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5982 Remote Similarity NPD5955 Clinical (unspecified phase)
0.598 Remote Similarity NPD6411 Approved
0.5966 Remote Similarity NPD5988 Approved
0.5962 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5210 Approved
0.5962 Remote Similarity NPD4629 Approved
0.5957 Remote Similarity NPD4802 Phase 2
0.5957 Remote Similarity NPD4238 Approved
0.595 Remote Similarity NPD6616 Approved
0.5946 Remote Similarity NPD5128 Approved
0.5946 Remote Similarity NPD4730 Approved
0.5946 Remote Similarity NPD6415 Discontinued
0.5946 Remote Similarity NPD4729 Approved
0.5943 Remote Similarity NPD5696 Approved
0.5932 Remote Similarity NPD6319 Approved
0.593 Remote Similarity NPD371 Approved
0.5926 Remote Similarity NPD7632 Discontinued
0.5918 Remote Similarity NPD3668 Phase 3
0.5909 Remote Similarity NPD6008 Approved
0.5902 Remote Similarity NPD8293 Discontinued
0.5902 Remote Similarity NPD7078 Approved
0.5865 Remote Similarity NPD5282 Discontinued
0.5862 Remote Similarity NPD6274 Approved
0.5862 Remote Similarity NPD6940 Discontinued
0.5847 Remote Similarity NPD7100 Approved
0.5847 Remote Similarity NPD7101 Approved
0.5841 Remote Similarity NPD5248 Approved
0.5841 Remote Similarity NPD5247 Approved
0.5841 Remote Similarity NPD5251 Approved
0.5841 Remote Similarity NPD5250 Approved
0.5841 Remote Similarity NPD5249 Phase 3
0.5816 Remote Similarity NPD3669 Approved
0.5816 Remote Similarity NPD3670 Clinical (unspecified phase)
0.581 Remote Similarity NPD5695 Phase 3
0.5806 Remote Similarity NPD7319 Approved
0.5802 Remote Similarity NPD3729 Clinical (unspecified phase)
0.58 Remote Similarity NPD6409 Approved
0.58 Remote Similarity NPD5330 Approved
0.58 Remote Similarity NPD7334 Approved
0.58 Remote Similarity NPD6684 Approved
0.58 Remote Similarity NPD7521 Approved
0.58 Remote Similarity NPD7146 Approved
0.5789 Remote Similarity NPD5217 Approved
0.5789 Remote Similarity NPD5216 Approved
0.5789 Remote Similarity NPD5215 Approved
0.5789 Remote Similarity NPD3617 Approved
0.5784 Remote Similarity NPD6101 Approved
0.5784 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5773 Remote Similarity NPD1779 Approved
0.5773 Remote Similarity NPD1780 Approved
0.5763 Remote Similarity NPD6335 Approved
0.575 Remote Similarity NPD6291 Clinical (unspecified phase)
0.575 Remote Similarity NPD6909 Approved
0.575 Remote Similarity NPD6908 Approved
0.5743 Remote Similarity NPD3573 Approved
0.5726 Remote Similarity NPD6033 Approved
0.5714 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4221 Approved
0.5714 Remote Similarity NPD4223 Phase 3
0.5702 Remote Similarity NPD5135 Approved
0.5702 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5702 Remote Similarity NPD5169 Approved
0.57 Remote Similarity NPD5329 Approved
0.5691 Remote Similarity NPD7507 Approved
0.569 Remote Similarity NPD4632 Approved
0.5686 Remote Similarity NPD6903 Approved
0.5686 Remote Similarity NPD5737 Approved

Structure

External Identifiers

PubChem CID   72375824
ChEMBL   CHEMBL2420024
ZINC  

Physicochemical Properties

Molecular Weight:  486.33
ALogP:  0.7675
MLogP:  4.21
XLogP:  4.649
# Rotatable Bonds:  9
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  35

Download Data

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Structure MOL file  
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