Natural Product: NPC469627

Natural Product ID:  NPC469627
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H24O7
Standard InCHIKey:  CVOIQQJWVKCWPR-OLGBPEHOSA-N
Standard InCHI:  InChI=1S/C19H24O7/c1-9(2)10-4-11(20)6-13-12(21)7-18(3,25-13)8-14-16-19(26-16,15(22)5-10)17(23)24-14/h10,13-16,22H,1,4-8H2,2-3H3/t10-,13-,14-,15+,16-,18-,19-/m1/s1
Canonical SMILES:  O=C1C[C@H](C[C@H](O)[C@]23O[C@@H]3[C@@H](C[C@@]3(O[C@H](C1)C(=O)C3)C)OC2=O)C(=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
NPO23707 Sinularia gyrosa Species Alcyoniidae Eukaryota PMID[20430633]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 > 20 ug/ml 22520261
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 56.3 % 22871217
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 ED50 > 50 ug/ml 10.1007/s00044-009-9214-8
NPT139 Cell Line HT-29 Homo sapiens ED50 > 20 ug/ml DrugMatrix in vivo data: Hematology
NPT81 Cell Line A549 Homo sapiens ED50 > 20 ug/ml 21875800

  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 NPC469627 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
0.9651 High Similarity NPC65359
0.9412 High Similarity NPC475491
0.9412 High Similarity NPC469626
0.8352 Intermediate Similarity NPC53158
0.8351 Intermediate Similarity NPC201718
0.8316 Intermediate Similarity NPC39859
0.8316 Intermediate Similarity NPC470883
0.8316 Intermediate Similarity NPC476009
0.8316 Intermediate Similarity NPC158416
0.8316 Intermediate Similarity NPC76862
0.8298 Intermediate Similarity NPC190294
0.8261 Intermediate Similarity NPC173926
0.8242 Intermediate Similarity NPC186148
0.8211 Intermediate Similarity NPC475900
0.8191 Intermediate Similarity NPC475788
0.8163 Intermediate Similarity NPC46998
0.8163 Intermediate Similarity NPC133907
0.8163 Intermediate Similarity NPC476270
0.8163 Intermediate Similarity NPC185141
0.8163 Intermediate Similarity NPC128733
0.8163 Intermediate Similarity NPC110443
0.8152 Intermediate Similarity NPC177629
0.8152 Intermediate Similarity NPC58219
0.8065 Intermediate Similarity NPC474951
0.8065 Intermediate Similarity NPC92974
0.8041 Intermediate Similarity NPC328562
0.8041 Intermediate Similarity NPC323421
0.8022 Intermediate Similarity NPC304509
0.8022 Intermediate Similarity NPC149725
0.8022 Intermediate Similarity NPC47958
0.8021 Intermediate Similarity NPC322188
0.802 Intermediate Similarity NPC474101
0.8 Intermediate Similarity NPC212486
0.798 Intermediate Similarity NPC164598
0.798 Intermediate Similarity NPC474339
0.7941 Intermediate Similarity NPC477513
0.7938 Intermediate Similarity NPC31645
0.7921 Intermediate Similarity NPC474741
0.7912 Intermediate Similarity NPC3464
0.7912 Intermediate Similarity NPC151176
0.7912 Intermediate Similarity NPC475963
0.79 Intermediate Similarity NPC474747
0.79 Intermediate Similarity NPC471148
0.7895 Intermediate Similarity NPC475881
0.7895 Intermediate Similarity NPC12172
0.7895 Intermediate Similarity NPC329952
0.7895 Intermediate Similarity NPC70251
0.7895 Intermediate Similarity NPC208886
0.7879 Intermediate Similarity NPC475949
0.7864 Intermediate Similarity NPC117604
0.7857 Intermediate Similarity NPC474313
0.7843 Intermediate Similarity NPC44004
0.7835 Intermediate Similarity NPC270013
0.7835 Intermediate Similarity NPC14961
0.7826 Intermediate Similarity NPC475206
0.7822 Intermediate Similarity NPC475945
0.7822 Intermediate Similarity NPC475871
0.7812 Intermediate Similarity NPC81419
0.7812 Intermediate Similarity NPC179746
0.78 Intermediate Similarity NPC47880
0.78 Intermediate Similarity NPC84042
0.78 Intermediate Similarity NPC305085
0.78 Intermediate Similarity NPC472753
0.7789 Intermediate Similarity NPC206614
0.7789 Intermediate Similarity NPC474323
0.7788 Intermediate Similarity NPC38154
0.7778 Intermediate Similarity NPC471146
0.7766 Intermediate Similarity NPC476706
0.7766 Intermediate Similarity NPC476707
0.7766 Intermediate Similarity NPC201046
0.7755 Intermediate Similarity NPC473859
0.7742 Intermediate Similarity NPC475019
0.7742 Intermediate Similarity NPC474949
0.7732 Intermediate Similarity NPC81386
0.7732 Intermediate Similarity NPC474035
0.7723 Intermediate Similarity NPC320019
0.7723 Intermediate Similarity NPC324017
0.7723 Intermediate Similarity NPC472754
0.7723 Intermediate Similarity NPC149371
0.7717 Intermediate Similarity NPC474780
0.7708 Intermediate Similarity NPC184463
0.7708 Intermediate Similarity NPC20713
0.7701 Intermediate Similarity NPC217725
0.77 Intermediate Similarity NPC288876
0.766 Intermediate Similarity NPC179659
0.766 Intermediate Similarity NPC190753
0.766 Intermediate Similarity NPC197333
0.766 Intermediate Similarity NPC5130
0.7653 Intermediate Similarity NPC475659
0.7647 Intermediate Similarity NPC472755
0.7647 Intermediate Similarity NPC475873
0.7634 Intermediate Similarity NPC329749
0.7629 Intermediate Similarity NPC475912
0.7624 Intermediate Similarity NPC15993
0.7624 Intermediate Similarity NPC474742
0.76 Intermediate Similarity NPC473326
0.76 Intermediate Similarity NPC474213
0.76 Intermediate Similarity NPC471144
0.7596 Intermediate Similarity NPC324327
0.7596 Intermediate Similarity NPC474421
0.7596 Intermediate Similarity NPC194620
0.7596 Intermediate Similarity NPC72813
0.7596 Intermediate Similarity NPC326994
0.7579 Intermediate Similarity NPC202672
0.7579 Intermediate Similarity NPC476708
0.7576 Intermediate Similarity NPC476315
0.7573 Intermediate Similarity NPC472756
0.7573 Intermediate Similarity NPC100487
0.7553 Intermediate Similarity NPC470242
0.7553 Intermediate Similarity NPC474762
0.7553 Intermediate Similarity NPC476015
0.7551 Intermediate Similarity NPC469632
0.7551 Intermediate Similarity NPC121825
0.7549 Intermediate Similarity NPC225353
0.7526 Intermediate Similarity NPC30515
0.7526 Intermediate Similarity NPC476705
0.7525 Intermediate Similarity NPC186861
0.7525 Intermediate Similarity NPC471381
0.7524 Intermediate Similarity NPC474664
0.7524 Intermediate Similarity NPC327286
0.7524 Intermediate Similarity NPC55972
0.7524 Intermediate Similarity NPC14862
0.7524 Intermediate Similarity NPC169888
0.7524 Intermediate Similarity NPC233379
0.7523 Intermediate Similarity NPC207217
0.75 Intermediate Similarity NPC478038
0.75 Intermediate Similarity NPC471150
0.75 Intermediate Similarity NPC134454
0.75 Intermediate Similarity NPC473564
0.75 Intermediate Similarity NPC9303
0.75 Intermediate Similarity NPC307411
0.75 Intermediate Similarity NPC236176
0.75 Intermediate Similarity NPC17326
0.75 Intermediate Similarity NPC16313
0.7477 Intermediate Similarity NPC157476
0.7476 Intermediate Similarity NPC110989
0.7475 Intermediate Similarity NPC163228
0.7475 Intermediate Similarity NPC36954
0.7474 Intermediate Similarity NPC471739
0.7473 Intermediate Similarity NPC51507
0.7471 Intermediate Similarity NPC475260
0.7471 Intermediate Similarity NPC473699
0.7471 Intermediate Similarity NPC475232
0.7471 Intermediate Similarity NPC51249
0.7471 Intermediate Similarity NPC473775
0.7471 Intermediate Similarity NPC474100
0.7455 Intermediate Similarity NPC471145
0.7453 Intermediate Similarity NPC475922
0.7453 Intermediate Similarity NPC15218
0.7451 Intermediate Similarity NPC474053
0.7451 Intermediate Similarity NPC471767
0.7451 Intermediate Similarity NPC304624
0.7451 Intermediate Similarity NPC264477
0.7451 Intermediate Similarity NPC477511
0.7449 Intermediate Similarity NPC469692
0.7449 Intermediate Similarity NPC476300
0.7449 Intermediate Similarity NPC469645
0.7444 Intermediate Similarity NPC470014
0.7444 Intermediate Similarity NPC475616
0.7426 Intermediate Similarity NPC274695
0.7423 Intermediate Similarity NPC478003
0.7423 Intermediate Similarity NPC478004
0.7423 Intermediate Similarity NPC158388
0.7423 Intermediate Similarity NPC469718
0.7423 Intermediate Similarity NPC51004
0.7423 Intermediate Similarity NPC246173
0.7423 Intermediate Similarity NPC329857
0.7419 Intermediate Similarity NPC128429
0.7419 Intermediate Similarity NPC474472
0.7419 Intermediate Similarity NPC257358
0.7411 Intermediate Similarity NPC329008
0.7411 Intermediate Similarity NPC317635
0.7404 Intermediate Similarity NPC203659
0.74 Intermediate Similarity NPC21302
0.74 Intermediate Similarity NPC476275
0.74 Intermediate Similarity NPC91771
0.74 Intermediate Similarity NPC17585
0.74 Intermediate Similarity NPC142529
0.74 Intermediate Similarity NPC11396
0.7396 Intermediate Similarity NPC281516
0.7396 Intermediate Similarity NPC476704
0.7396 Intermediate Similarity NPC315911
0.7391 Intermediate Similarity NPC207188
0.7383 Intermediate Similarity NPC161816
0.7383 Intermediate Similarity NPC115257
0.7379 Intermediate Similarity NPC250594
0.7379 Intermediate Similarity NPC39996
0.7374 Intermediate Similarity NPC57405
0.7374 Intermediate Similarity NPC473331
0.7374 Intermediate Similarity NPC303942
0.7368 Intermediate Similarity NPC162071
0.7347 Intermediate Similarity NPC184063
0.734 Intermediate Similarity NPC120726
0.734 Intermediate Similarity NPC32565
0.7333 Intermediate Similarity NPC243998
0.7333 Intermediate Similarity NPC54737
0.7333 Intermediate Similarity NPC475802
0.7333 Intermediate Similarity NPC314244
0.7327 Intermediate Similarity NPC471140
0.7327 Intermediate Similarity NPC311904

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469627 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
0.7172 Intermediate Similarity NPD7983 Approved
0.7103 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5282 Discontinued
0.6907 Remote Similarity NPD1733 Clinical (unspecified phase)
0.69 Remote Similarity NPD6698 Approved
0.69 Remote Similarity NPD46 Approved
0.6881 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6796 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6792 Remote Similarity NPD1700 Approved
0.6759 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6759 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6371 Approved
0.6667 Remote Similarity NPD6319 Approved
0.6598 Remote Similarity NPD6435 Approved
0.6583 Remote Similarity NPD7492 Approved
0.6549 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6529 Remote Similarity NPD6616 Approved
0.6525 Remote Similarity NPD6054 Approved
0.6525 Remote Similarity NPD6059 Approved
0.65 Remote Similarity NPD5786 Approved
0.6495 Remote Similarity NPD5369 Approved
0.6475 Remote Similarity NPD7078 Approved
0.6475 Remote Similarity NPD8293 Discontinued
0.6471 Remote Similarity NPD6015 Approved
0.6471 Remote Similarity NPD1695 Approved
0.6471 Remote Similarity NPD6016 Approved
0.6442 Remote Similarity NPD5778 Approved
0.6442 Remote Similarity NPD5779 Approved
0.6423 Remote Similarity NPD7736 Approved
0.6417 Remote Similarity NPD5988 Approved
0.6417 Remote Similarity NPD6370 Approved
0.6408 Remote Similarity NPD7838 Discovery
0.6392 Remote Similarity NPD5368 Approved
0.6372 Remote Similarity NPD6373 Approved
0.6372 Remote Similarity NPD6372 Approved
0.6364 Remote Similarity NPD8328 Phase 3
0.6333 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6101 Approved
0.6311 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6293 Remote Similarity NPD4632 Approved
0.6283 Remote Similarity NPD7320 Approved
0.6281 Remote Similarity NPD8080 Discontinued
0.6271 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6263 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6650 Approved
0.6261 Remote Similarity NPD6649 Approved
0.625 Remote Similarity NPD5739 Approved
0.625 Remote Similarity NPD6008 Approved
0.625 Remote Similarity NPD6402 Approved
0.625 Remote Similarity NPD6675 Approved
0.625 Remote Similarity NPD7128 Approved
0.6207 Remote Similarity NPD8297 Approved
0.6198 Remote Similarity NPD8513 Phase 3
0.6198 Remote Similarity NPD8515 Approved
0.6198 Remote Similarity NPD8516 Approved
0.6198 Remote Similarity NPD6921 Approved
0.6198 Remote Similarity NPD8269 Approved
0.6198 Remote Similarity NPD8517 Approved
0.6198 Remote Similarity NPD8268 Approved
0.6198 Remote Similarity NPD8266 Approved
0.6198 Remote Similarity NPD8267 Approved
0.6195 Remote Similarity NPD5701 Approved
0.6195 Remote Similarity NPD5697 Approved
0.619 Remote Similarity NPD6411 Approved
0.6176 Remote Similarity NPD4249 Approved
0.6154 Remote Similarity NPD7966 Clinical (unspecified phase)
0.614 Remote Similarity NPD6899 Approved
0.614 Remote Similarity NPD6881 Approved
0.6134 Remote Similarity NPD6009 Approved
0.6117 Remote Similarity NPD4251 Approved
0.6117 Remote Similarity NPD4250 Approved
0.6111 Remote Similarity NPD7839 Suspended
0.61 Remote Similarity NPD4269 Approved
0.61 Remote Similarity NPD4270 Approved
0.6098 Remote Similarity NPD7604 Phase 2
0.6087 Remote Similarity NPD6012 Approved
0.6087 Remote Similarity NPD6014 Approved
0.6087 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6013 Approved
0.6066 Remote Similarity NPD5983 Phase 2
0.6055 Remote Similarity NPD6083 Phase 2
0.6055 Remote Similarity NPD6084 Phase 2
0.604 Remote Similarity NPD6110 Phase 1
0.604 Remote Similarity NPD7154 Phase 3
0.6034 Remote Similarity NPD7102 Approved
0.6034 Remote Similarity NPD6883 Approved
0.6034 Remote Similarity NPD7290 Approved
0.6034 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6034 Remote Similarity NPD4634 Approved
0.6032 Remote Similarity NPD6033 Approved
0.6019 Remote Similarity NPD5695 Phase 3
0.6 Remote Similarity NPD5696 Approved
0.6 Remote Similarity NPD6686 Approved
0.6 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD4225 Approved
0.5983 Remote Similarity NPD8130 Phase 1
0.5983 Remote Similarity NPD6617 Approved
0.5983 Remote Similarity NPD6847 Approved
0.5983 Remote Similarity NPD6869 Approved
0.5982 Remote Similarity NPD8083 Approved
0.5982 Remote Similarity NPD8086 Approved
0.5982 Remote Similarity NPD8084 Approved
0.5982 Remote Similarity NPD8082 Approved
0.5982 Remote Similarity NPD8138 Approved
0.5982 Remote Similarity NPD8085 Approved
0.5982 Remote Similarity NPD8139 Approved
0.5981 Remote Similarity NPD6399 Phase 3
0.5968 Remote Similarity NPD7642 Approved
0.5965 Remote Similarity NPD8393 Approved
0.5952 Remote Similarity NPD8074 Phase 3
0.5948 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5934 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5932 Remote Similarity NPD6882 Approved
0.5932 Remote Similarity NPD6053 Discontinued
0.593 Remote Similarity NPD73 Approved
0.5929 Remote Similarity NPD8275 Approved
0.5929 Remote Similarity NPD8276 Approved
0.5922 Remote Similarity NPD5363 Approved
0.5914 Remote Similarity NPD229 Approved
0.5913 Remote Similarity NPD6412 Phase 2
0.59 Remote Similarity NPD4252 Approved
0.5893 Remote Similarity NPD5344 Discontinued
0.5888 Remote Similarity NPD8035 Phase 2
0.5888 Remote Similarity NPD8034 Phase 2
0.5882 Remote Similarity NPD5362 Discontinued
0.5882 Remote Similarity NPD8133 Approved
0.5877 Remote Similarity NPD8081 Approved
0.5873 Remote Similarity NPD6336 Discontinued
0.5862 Remote Similarity NPD8959 Approved
0.5859 Remote Similarity NPD7319 Approved
0.5859 Remote Similarity NPD4802 Phase 2
0.5859 Remote Similarity NPD4238 Approved
0.5856 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5847 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5847 Remote Similarity NPD2204 Approved
0.5841 Remote Similarity NPD8300 Approved
0.5841 Remote Similarity NPD8301 Approved
0.5824 Remote Similarity NPD3197 Phase 1
0.582 Remote Similarity NPD7641 Discontinued
0.5814 Remote Similarity NPD5956 Approved
0.5806 Remote Similarity NPD896 Approved
0.5806 Remote Similarity NPD898 Approved
0.5806 Remote Similarity NPD897 Approved
0.5794 Remote Similarity NPD8299 Approved
0.5794 Remote Similarity NPD8340 Approved
0.5794 Remote Similarity NPD5785 Approved
0.5794 Remote Similarity NPD8341 Approved
0.5794 Remote Similarity NPD8342 Approved
0.5785 Remote Similarity NPD6274 Approved
0.5776 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5769 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5766 Remote Similarity NPD4755 Approved
0.5748 Remote Similarity NPD7507 Approved
0.5748 Remote Similarity NPD8273 Phase 1
0.5748 Remote Similarity NPD8451 Approved
0.5743 Remote Similarity NPD4821 Approved
0.5743 Remote Similarity NPD4822 Approved
0.5743 Remote Similarity NPD4820 Approved
0.5743 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5743 Remote Similarity NPD4819 Approved
0.5714 Remote Similarity NPD7830 Approved
0.5714 Remote Similarity NPD7829 Approved
0.5714 Remote Similarity NPD8961 Approved
0.5714 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5703 Remote Similarity NPD8448 Approved
0.57 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5698 Remote Similarity NPD3728 Approved
0.5698 Remote Similarity NPD3730 Approved
0.568 Remote Similarity NPD6291 Clinical (unspecified phase)
0.568 Remote Similarity NPD8444 Approved
0.5676 Remote Similarity NPD4697 Phase 3
0.5664 Remote Similarity NPD5285 Approved
0.5664 Remote Similarity NPD4700 Approved
0.5664 Remote Similarity NPD5286 Approved
0.5664 Remote Similarity NPD4696 Approved
0.5647 Remote Similarity NPD9011 Approved
0.5647 Remote Similarity NPD8960 Approved
0.5647 Remote Similarity NPD64 Approved
0.5647 Remote Similarity NPD9007 Approved
0.5647 Remote Similarity NPD9009 Approved
0.5647 Remote Similarity NPD9010 Approved
0.5647 Remote Similarity NPD72 Approved
0.5647 Remote Similarity NPD65 Approved
0.5647 Remote Similarity NPD9008 Approved
0.5647 Remote Similarity NPD66 Approved
0.5645 Remote Similarity NPD7101 Approved
0.5645 Remote Similarity NPD7100 Approved
0.5644 Remote Similarity NPD7329 Approved
0.5639 Remote Similarity NPD8415 Approved
0.5631 Remote Similarity NPD7345 Approved
0.5625 Remote Similarity NPD7902 Approved
0.561 Remote Similarity NPD6317 Approved
0.5607 Remote Similarity NPD6672 Approved
0.5607 Remote Similarity NPD5737 Approved

Structure

External Identifiers

PubChem CID   46888488
ChEMBL   CHEMBL1094859
ZINC  

Physicochemical Properties

Molecular Weight:  364.15
ALogP:  -0.3624
MLogP:  2.78
XLogP:  -0.603
# Rotatable Bonds:  4
Polar Surface Area:  102.43
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  26

Download Data

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