Natural Product: NPC477656

Natural Product ID:  NPC477656
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H30O5
Standard InCHIKey:  AHMSSFUETQXFKM-LAURMEFLSA-N
Standard InCHI:  InChI=1S/C22H30O5/c1-6-14-12(2)7-8-16-15(14)11-18-22(25)20(16,4)10-9-17(26-13(3)23)21(22,5)19(24)27-18/h6,14-18,25H,1-2,7-11H2,3-5H3/t14-,15+,16+,17-,18-,20-,21-,22+/m1/s1
Canonical SMILES:  C=C[C@@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3([C@]1([C@]2(C)CC[C@H]3OC(=O)C)O)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
NPO33607 Paraconiothyrium hawaiiense Species Didymosphaeriaceae Eukaryota isolated from a Septobasidium sp.-infected Diaspidiotus sp Cang Mountain, Dali, Yunnan Province, China 2011-AUG PMID[24882446]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 43600 nM 24882446
NPT2 Others Unspecified IC50 = 20700 nM 24882446
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 37300 nM 24882446
NPT83 Cell Line MCF7 Homo sapiens IC50 = 23400 nM 24882446
NPT165 Cell Line HeLa Homo sapiens IC50 = 43700 nM 24882446

  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 NPC477656 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
0.9785 High Similarity NPC477655
0.8854 High Similarity NPC256227
0.8738 High Similarity NPC474567
0.87 High Similarity NPC99510
0.8673 High Similarity NPC477653
0.8627 High Similarity NPC166993
0.8617 High Similarity NPC253618
0.8617 High Similarity NPC77001
0.8571 High Similarity NPC253586
0.8544 High Similarity NPC273155
0.8529 High Similarity NPC472655
0.8529 High Similarity NPC138908
0.8529 High Similarity NPC200957
0.8515 High Similarity NPC72842
0.8515 High Similarity NPC277074
0.8515 High Similarity NPC209298
0.8515 High Similarity NPC61442
0.85 High Similarity NPC98225
0.85 High Similarity NPC308824
0.8485 Intermediate Similarity NPC474724
0.8431 Intermediate Similarity NPC301787
0.8431 Intermediate Similarity NPC283850
0.8411 Intermediate Similarity NPC117712
0.84 Intermediate Similarity NPC470388
0.84 Intermediate Similarity NPC108371
0.8381 Intermediate Similarity NPC100908
0.8365 Intermediate Similarity NPC289702
0.8365 Intermediate Similarity NPC208461
0.8365 Intermediate Similarity NPC112895
0.8365 Intermediate Similarity NPC231278
0.8365 Intermediate Similarity NPC63841
0.8365 Intermediate Similarity NPC218123
0.835 Intermediate Similarity NPC222833
0.835 Intermediate Similarity NPC477877
0.8333 Intermediate Similarity NPC153853
0.8333 Intermediate Similarity NPC207217
0.8333 Intermediate Similarity NPC122811
0.8333 Intermediate Similarity NPC156681
0.8318 Intermediate Similarity NPC477126
0.8317 Intermediate Similarity NPC46848
0.8302 Intermediate Similarity NPC157476
0.8286 Intermediate Similarity NPC154906
0.8283 Intermediate Similarity NPC473964
0.8269 Intermediate Similarity NPC186054
0.8257 Intermediate Similarity NPC470854
0.8257 Intermediate Similarity NPC474654
0.8257 Intermediate Similarity NPC176513
0.8257 Intermediate Similarity NPC287343
0.8257 Intermediate Similarity NPC97908
0.8257 Intermediate Similarity NPC470775
0.8257 Intermediate Similarity NPC122033
0.8252 Intermediate Similarity NPC475036
0.8247 Intermediate Similarity NPC219516
0.8235 Intermediate Similarity NPC275990
0.8235 Intermediate Similarity NPC164551
0.8229 Intermediate Similarity NPC194642
0.8208 Intermediate Similarity NPC85391
0.8208 Intermediate Similarity NPC471093
0.82 Intermediate Similarity NPC473963
0.819 Intermediate Similarity NPC471094
0.819 Intermediate Similarity NPC469984
0.819 Intermediate Similarity NPC473410
0.819 Intermediate Similarity NPC37628
0.8182 Intermediate Similarity NPC259042
0.8182 Intermediate Similarity NPC470776
0.8182 Intermediate Similarity NPC17772
0.8182 Intermediate Similarity NPC157686
0.8173 Intermediate Similarity NPC102352
0.8173 Intermediate Similarity NPC56656
0.8165 Intermediate Similarity NPC179626
0.8163 Intermediate Similarity NPC199543
0.8155 Intermediate Similarity NPC225238
0.8148 Intermediate Similarity NPC49451
0.8137 Intermediate Similarity NPC256247
0.8137 Intermediate Similarity NPC242666
0.8137 Intermediate Similarity NPC252614
0.8131 Intermediate Similarity NPC272242
0.8131 Intermediate Similarity NPC94650
0.8131 Intermediate Similarity NPC29505
0.8119 Intermediate Similarity NPC98837
0.8119 Intermediate Similarity NPC38296
0.8119 Intermediate Similarity NPC28864
0.8119 Intermediate Similarity NPC119036
0.8119 Intermediate Similarity NPC471038
0.8119 Intermediate Similarity NPC164349
0.8119 Intermediate Similarity NPC78427
0.8119 Intermediate Similarity NPC16911
0.8119 Intermediate Similarity NPC89099
0.8119 Intermediate Similarity NPC20479
0.8119 Intermediate Similarity NPC472028
0.8119 Intermediate Similarity NPC162459
0.8119 Intermediate Similarity NPC38471
0.8113 Intermediate Similarity NPC102741
0.8113 Intermediate Similarity NPC274827
0.8113 Intermediate Similarity NPC131903
0.8113 Intermediate Similarity NPC218853
0.81 Intermediate Similarity NPC116683
0.81 Intermediate Similarity NPC93245
0.81 Intermediate Similarity NPC284518
0.8095 Intermediate Similarity NPC471474
0.8095 Intermediate Similarity NPC471461
0.8095 Intermediate Similarity NPC3316
0.8095 Intermediate Similarity NPC78966
0.8095 Intermediate Similarity NPC144854
0.8095 Intermediate Similarity NPC284732
0.8095 Intermediate Similarity NPC230541
0.8095 Intermediate Similarity NPC59530
0.8095 Intermediate Similarity NPC67745
0.8091 Intermediate Similarity NPC469684
0.8091 Intermediate Similarity NPC58662
0.8085 Intermediate Similarity NPC97505
0.8081 Intermediate Similarity NPC469596
0.8081 Intermediate Similarity NPC277399
0.8081 Intermediate Similarity NPC475118
0.8081 Intermediate Similarity NPC47853
0.8081 Intermediate Similarity NPC225474
0.8081 Intermediate Similarity NPC148000
0.8077 Intermediate Similarity NPC471293
0.8058 Intermediate Similarity NPC148628
0.8058 Intermediate Similarity NPC88203
0.8058 Intermediate Similarity NPC286519
0.8058 Intermediate Similarity NPC246736
0.8058 Intermediate Similarity NPC76866
0.8058 Intermediate Similarity NPC124544
0.8058 Intermediate Similarity NPC214946
0.8058 Intermediate Similarity NPC304832
0.8056 Intermediate Similarity NPC474516
0.8056 Intermediate Similarity NPC472002
0.8056 Intermediate Similarity NPC269530
0.8039 Intermediate Similarity NPC35239
0.8039 Intermediate Similarity NPC47024
0.8039 Intermediate Similarity NPC94906
0.8039 Intermediate Similarity NPC293866
0.8039 Intermediate Similarity NPC287676
0.8037 Intermediate Similarity NPC137104
0.8037 Intermediate Similarity NPC320383
0.8037 Intermediate Similarity NPC474786
0.8036 Intermediate Similarity NPC473645
0.802 Intermediate Similarity NPC261935
0.802 Intermediate Similarity NPC106112
0.802 Intermediate Similarity NPC272451
0.802 Intermediate Similarity NPC10864
0.802 Intermediate Similarity NPC170978
0.802 Intermediate Similarity NPC474395
0.8019 Intermediate Similarity NPC258323
0.8019 Intermediate Similarity NPC277017
0.8019 Intermediate Similarity NPC55973
0.8019 Intermediate Similarity NPC472218
0.8019 Intermediate Similarity NPC472219
0.8019 Intermediate Similarity NPC154608
0.8019 Intermediate Similarity NPC192813
0.8019 Intermediate Similarity NPC472217
0.8018 Intermediate Similarity NPC188667
0.8018 Intermediate Similarity NPC204552
0.8018 Intermediate Similarity NPC284707
0.8 Intermediate Similarity NPC96312
0.8 Intermediate Similarity NPC251236
0.8 Intermediate Similarity NPC295366
0.8 Intermediate Similarity NPC89929
0.8 Intermediate Similarity NPC217329
0.8 Intermediate Similarity NPC328374
0.8 Intermediate Similarity NPC307660
0.8 Intermediate Similarity NPC40632
0.8 Intermediate Similarity NPC37600
0.8 Intermediate Similarity NPC474734
0.8 Intermediate Similarity NPC470229
0.8 Intermediate Similarity NPC130511
0.8 Intermediate Similarity NPC470587
0.8 Intermediate Similarity NPC470232
0.7982 Intermediate Similarity NPC208998
0.7982 Intermediate Similarity NPC320118
0.7982 Intermediate Similarity NPC471252
0.7982 Intermediate Similarity NPC94509
0.7982 Intermediate Similarity NPC102619
0.7982 Intermediate Similarity NPC7921
0.7981 Intermediate Similarity NPC87927
0.7981 Intermediate Similarity NPC139347
0.7981 Intermediate Similarity NPC474575
0.798 Intermediate Similarity NPC147272
0.798 Intermediate Similarity NPC291373
0.7965 Intermediate Similarity NPC470779
0.7965 Intermediate Similarity NPC102822
0.7965 Intermediate Similarity NPC477046
0.7963 Intermediate Similarity NPC474229
0.7963 Intermediate Similarity NPC469655
0.7963 Intermediate Similarity NPC474846
0.7963 Intermediate Similarity NPC469656
0.7963 Intermediate Similarity NPC56025
0.7963 Intermediate Similarity NPC213320
0.7963 Intermediate Similarity NPC146945
0.7963 Intermediate Similarity NPC171888
0.7961 Intermediate Similarity NPC233012
0.7961 Intermediate Similarity NPC111292
0.7961 Intermediate Similarity NPC121218
0.7961 Intermediate Similarity NPC477053
0.7961 Intermediate Similarity NPC477051
0.7961 Intermediate Similarity NPC52899
0.7961 Intermediate Similarity NPC253886
0.7961 Intermediate Similarity NPC54909
0.7961 Intermediate Similarity NPC163963

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477656 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
0.8365 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD8035 Phase 2
0.77 Intermediate Similarity NPD8034 Phase 2
0.7615 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD6319 Approved
0.7545 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6921 Approved
0.7429 Intermediate Similarity NPD4225 Approved
0.7345 Intermediate Similarity NPD4632 Approved
0.7345 Intermediate Similarity NPD8133 Approved
0.7333 Intermediate Similarity NPD7902 Approved
0.7311 Intermediate Similarity NPD7492 Approved
0.7304 Intermediate Similarity NPD7115 Discovery
0.7297 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD6399 Phase 3
0.7273 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7736 Approved
0.7273 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD6054 Approved
0.7264 Intermediate Similarity NPD7638 Approved
0.725 Intermediate Similarity NPD6616 Approved
0.7227 Intermediate Similarity NPD8328 Phase 3
0.7213 Intermediate Similarity NPD7319 Approved
0.7212 Intermediate Similarity NPD7748 Approved
0.7203 Intermediate Similarity NPD6015 Approved
0.7203 Intermediate Similarity NPD6016 Approved
0.7196 Intermediate Similarity NPD7640 Approved
0.7196 Intermediate Similarity NPD7639 Approved
0.719 Intermediate Similarity NPD7078 Approved
0.7182 Intermediate Similarity NPD6008 Approved
0.7155 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5988 Approved
0.7143 Intermediate Similarity NPD6370 Approved
0.7119 Intermediate Similarity NPD6059 Approved
0.7117 Intermediate Similarity NPD5697 Approved
0.7105 Intermediate Similarity NPD8297 Approved
0.708 Intermediate Similarity NPD4634 Approved
0.7054 Intermediate Similarity NPD6899 Approved
0.7054 Intermediate Similarity NPD6881 Approved
0.7054 Intermediate Similarity NPD6686 Approved
0.7049 Intermediate Similarity NPD8293 Discontinued
0.7048 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7900 Approved
0.7027 Intermediate Similarity NPD7128 Approved
0.7027 Intermediate Similarity NPD5739 Approved
0.7027 Intermediate Similarity NPD6675 Approved
0.7027 Intermediate Similarity NPD6402 Approved
0.7019 Intermediate Similarity NPD7515 Phase 2
0.7018 Intermediate Similarity NPD6649 Approved
0.7018 Intermediate Similarity NPD6650 Approved
0.7009 Intermediate Similarity NPD6009 Approved
0.6991 Remote Similarity NPD6013 Approved
0.6991 Remote Similarity NPD6014 Approved
0.6991 Remote Similarity NPD6372 Approved
0.6991 Remote Similarity NPD6373 Approved
0.6991 Remote Similarity NPD6012 Approved
0.6972 Remote Similarity NPD1700 Approved
0.6967 Remote Similarity NPD7507 Approved
0.6964 Remote Similarity NPD6412 Phase 2
0.6964 Remote Similarity NPD5701 Approved
0.693 Remote Similarity NPD7290 Approved
0.693 Remote Similarity NPD6883 Approved
0.693 Remote Similarity NPD7102 Approved
0.6917 Remote Similarity NPD5983 Phase 2
0.6907 Remote Similarity NPD6115 Approved
0.6907 Remote Similarity NPD6114 Approved
0.6907 Remote Similarity NPD6697 Approved
0.6907 Remote Similarity NPD6118 Approved
0.6903 Remote Similarity NPD6011 Approved
0.6903 Remote Similarity NPD7320 Approved
0.6891 Remote Similarity NPD7516 Approved
0.6887 Remote Similarity NPD5282 Discontinued
0.687 Remote Similarity NPD6869 Approved
0.687 Remote Similarity NPD6847 Approved
0.687 Remote Similarity NPD8130 Phase 1
0.687 Remote Similarity NPD6617 Approved
0.6863 Remote Similarity NPD3618 Phase 1
0.6857 Remote Similarity NPD6411 Approved
0.681 Remote Similarity NPD6882 Approved
0.6807 Remote Similarity NPD7327 Approved
0.6807 Remote Similarity NPD7328 Approved
0.6804 Remote Similarity NPD6116 Phase 1
0.6803 Remote Similarity NPD7604 Phase 2
0.6789 Remote Similarity NPD5696 Approved
0.6777 Remote Similarity NPD8513 Phase 3
0.6777 Remote Similarity NPD8516 Approved
0.6777 Remote Similarity NPD8517 Approved
0.6777 Remote Similarity NPD8515 Approved
0.6727 Remote Similarity NPD5286 Approved
0.6727 Remote Similarity NPD4696 Approved
0.6727 Remote Similarity NPD5285 Approved
0.6701 Remote Similarity NPD6117 Approved
0.6699 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6698 Remote Similarity NPD7637 Suspended
0.6697 Remote Similarity NPD6083 Phase 2
0.6697 Remote Similarity NPD6084 Phase 2
0.6697 Remote Similarity NPD4755 Approved
0.6694 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5344 Discontinued
0.6667 Remote Similarity NPD6101 Approved
0.6639 Remote Similarity NPD8335 Approved
0.6639 Remote Similarity NPD8380 Approved
0.6639 Remote Similarity NPD8379 Approved
0.6639 Remote Similarity NPD8378 Approved
0.6639 Remote Similarity NPD8296 Approved
0.6636 Remote Similarity NPD5779 Approved
0.6636 Remote Similarity NPD4202 Approved
0.6636 Remote Similarity NPD5778 Approved
0.6635 Remote Similarity NPD3573 Approved
0.6634 Remote Similarity NPD3667 Approved
0.6607 Remote Similarity NPD7632 Discontinued
0.6607 Remote Similarity NPD5225 Approved
0.6607 Remote Similarity NPD5224 Approved
0.6607 Remote Similarity NPD5211 Phase 2
0.6607 Remote Similarity NPD5226 Approved
0.6607 Remote Similarity NPD4633 Approved
0.66 Remote Similarity NPD7525 Registered
0.6587 Remote Similarity NPD6033 Approved
0.6581 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6577 Remote Similarity NPD4700 Approved
0.6571 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6557 Remote Similarity NPD8294 Approved
0.6557 Remote Similarity NPD8377 Approved
0.6549 Remote Similarity NPD5174 Approved
0.6549 Remote Similarity NPD5175 Approved
0.6542 Remote Similarity NPD7983 Approved
0.6542 Remote Similarity NPD5284 Approved
0.6542 Remote Similarity NPD6079 Approved
0.6542 Remote Similarity NPD5281 Approved
0.6538 Remote Similarity NPD7334 Approved
0.6538 Remote Similarity NPD6684 Approved
0.6538 Remote Similarity NPD6409 Approved
0.6538 Remote Similarity NPD7146 Approved
0.6538 Remote Similarity NPD7521 Approved
0.6538 Remote Similarity NPD5330 Approved
0.6522 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5223 Approved
0.6509 Remote Similarity NPD5328 Approved
0.6508 Remote Similarity NPD8074 Phase 3
0.6505 Remote Similarity NPD4786 Approved
0.6504 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6504 Remote Similarity NPD8033 Approved
0.65 Remote Similarity NPD6274 Approved
0.6496 Remote Similarity NPD6371 Approved
0.6495 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6491 Remote Similarity NPD5141 Approved
0.6476 Remote Similarity NPD7524 Approved
0.6475 Remote Similarity NPD7100 Approved
0.6475 Remote Similarity NPD7101 Approved
0.6455 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4697 Phase 3
0.6455 Remote Similarity NPD5221 Approved
0.6455 Remote Similarity NPD5222 Approved
0.6446 Remote Similarity NPD6317 Approved
0.6442 Remote Similarity NPD1694 Approved
0.6441 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6648 Approved
0.6429 Remote Similarity NPD3703 Phase 2
0.6422 Remote Similarity NPD6001 Approved
0.6415 Remote Similarity NPD6903 Approved
0.6415 Remote Similarity NPD5737 Approved
0.6415 Remote Similarity NPD6672 Approved
0.6408 Remote Similarity NPD4788 Approved
0.64 Remote Similarity NPD6067 Discontinued
0.6396 Remote Similarity NPD5173 Approved
0.6393 Remote Similarity NPD6335 Approved
0.6393 Remote Similarity NPD6313 Approved
0.6393 Remote Similarity NPD6314 Approved
0.6371 Remote Similarity NPD7503 Approved
0.6364 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5210 Approved
0.6364 Remote Similarity NPD4629 Approved
0.6357 Remote Similarity NPD5956 Approved
0.6355 Remote Similarity NPD4753 Phase 2
0.6348 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6346 Remote Similarity NPD3133 Approved
0.6346 Remote Similarity NPD3666 Approved
0.6346 Remote Similarity NPD3668 Phase 3
0.6346 Remote Similarity NPD3665 Phase 1
0.6337 Remote Similarity NPD7645 Phase 2
0.6325 Remote Similarity NPD4730 Approved
0.6325 Remote Similarity NPD4729 Approved
0.6311 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6698 Approved
0.6296 Remote Similarity NPD5207 Approved
0.6296 Remote Similarity NPD46 Approved
0.6293 Remote Similarity NPD4767 Approved
0.6293 Remote Similarity NPD4768 Approved
0.6263 Remote Similarity NPD3702 Approved
0.6261 Remote Similarity NPD4754 Approved
0.625 Remote Similarity NPD3699 Clinical (unspecified phase)
0.625 Remote Similarity NPD3669 Approved
0.625 Remote Similarity NPD3670 Clinical (unspecified phase)
0.625 Remote Similarity NPD3700 Clinical (unspecified phase)
0.624 Remote Similarity NPD6909 Approved
0.624 Remote Similarity NPD6908 Approved
0.623 Remote Similarity NPD6868 Approved

Structure

External Identifiers

PubChem CID   90683062
ChEMBL   CHEMBL3298358
ZINC  

Physicochemical Properties

Molecular Weight:  374.21
ALogP:  0.6222
MLogP:  3.33
XLogP:  3.578
# Rotatable Bonds:  7
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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