Natural Product: NPC477653

Natural Product ID:  NPC477653
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26O4
Standard InCHIKey:  RIIIZSAGFOLSAE-XTIVUVSQSA-N
Standard InCHI:  InChI=1S/C20H26O4/c1-5-12-11(2)6-7-14-13(12)10-15(21)20(23)18(14,3)9-8-16-19(20,4)17(22)24-16/h5,12-14,16,23H,1-2,6-10H2,3-4H3/t12-,13+,14+,16+,18-,19-,20+/m1/s1
Canonical SMILES:  C=C[C@@H]1C(=C)CC[C@H]2[C@H]1CC(=O)[C@@]1([C@]2(C)CC[C@H]2[C@]1(C)C(=O)O2)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
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 = 7480 nM 24882446
NPT2 Others Unspecified IC50 = 4260 nM 24882446
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 6230 nM 24882446
NPT83 Cell Line MCF7 Homo sapiens IC50 = 7430 nM 24882446
NPT165 Cell Line HeLa Homo sapiens IC50 = 2840 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 NPC477653 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
0.8673 High Similarity NPC477656
0.8571 High Similarity NPC474724
0.8526 High Similarity NPC198054
0.8485 Intermediate Similarity NPC477655
0.84 Intermediate Similarity NPC477052
0.84 Intermediate Similarity NPC477051
0.84 Intermediate Similarity NPC477053
0.835 Intermediate Similarity NPC201908
0.835 Intermediate Similarity NPC176949
0.8317 Intermediate Similarity NPC477054
0.8247 Intermediate Similarity NPC199543
0.8218 Intermediate Similarity NPC46848
0.82 Intermediate Similarity NPC78427
0.82 Intermediate Similarity NPC89099
0.82 Intermediate Similarity NPC16911
0.8163 Intermediate Similarity NPC469982
0.8163 Intermediate Similarity NPC475118
0.8163 Intermediate Similarity NPC47853
0.8155 Intermediate Similarity NPC84928
0.8144 Intermediate Similarity NPC476934
0.8137 Intermediate Similarity NPC275990
0.8137 Intermediate Similarity NPC88203
0.8137 Intermediate Similarity NPC76866
0.8137 Intermediate Similarity NPC304832
0.8137 Intermediate Similarity NPC148628
0.8137 Intermediate Similarity NPC246736
0.8137 Intermediate Similarity NPC286519
0.8137 Intermediate Similarity NPC214946
0.8119 Intermediate Similarity NPC287676
0.8119 Intermediate Similarity NPC293866
0.8119 Intermediate Similarity NPC293890
0.8113 Intermediate Similarity NPC100908
0.81 Intermediate Similarity NPC10864
0.81 Intermediate Similarity NPC253586
0.8095 Intermediate Similarity NPC289702
0.8095 Intermediate Similarity NPC208461
0.8081 Intermediate Similarity NPC470232
0.8081 Intermediate Similarity NPC217329
0.8081 Intermediate Similarity NPC470229
0.8058 Intermediate Similarity NPC216114
0.8041 Intermediate Similarity NPC46758
0.8039 Intermediate Similarity NPC118964
0.8039 Intermediate Similarity NPC163963
0.8039 Intermediate Similarity NPC52899
0.8039 Intermediate Similarity NPC289148
0.802 Intermediate Similarity NPC471038
0.802 Intermediate Similarity NPC38296
0.802 Intermediate Similarity NPC162459
0.802 Intermediate Similarity NPC472028
0.802 Intermediate Similarity NPC38471
0.802 Intermediate Similarity NPC119036
0.802 Intermediate Similarity NPC20479
0.802 Intermediate Similarity NPC98837
0.802 Intermediate Similarity NPC28864
0.8 Intermediate Similarity NPC219353
0.8 Intermediate Similarity NPC329910
0.7981 Intermediate Similarity NPC47281
0.7981 Intermediate Similarity NPC98603
0.798 Intermediate Similarity NPC470385
0.798 Intermediate Similarity NPC470386
0.7941 Intermediate Similarity NPC94906
0.7941 Intermediate Similarity NPC108371
0.7938 Intermediate Similarity NPC59682
0.7938 Intermediate Similarity NPC471043
0.7921 Intermediate Similarity NPC476878
0.7921 Intermediate Similarity NPC476879
0.7909 Intermediate Similarity NPC207217
0.7905 Intermediate Similarity NPC200957
0.7905 Intermediate Similarity NPC37600
0.7905 Intermediate Similarity NPC28791
0.7905 Intermediate Similarity NPC295366
0.7905 Intermediate Similarity NPC138908
0.7905 Intermediate Similarity NPC50535
0.79 Intermediate Similarity NPC210214
0.7895 Intermediate Similarity NPC224345
0.7885 Intermediate Similarity NPC139347
0.7885 Intermediate Similarity NPC87927
0.7885 Intermediate Similarity NPC478057
0.7885 Intermediate Similarity NPC469985
0.787 Intermediate Similarity NPC171888
0.787 Intermediate Similarity NPC146945
0.7864 Intermediate Similarity NPC471790
0.7864 Intermediate Similarity NPC253886
0.7864 Intermediate Similarity NPC111292
0.7864 Intermediate Similarity NPC295276
0.7864 Intermediate Similarity NPC121218
0.7857 Intermediate Similarity NPC153853
0.785 Intermediate Similarity NPC204652
0.785 Intermediate Similarity NPC16657
0.7843 Intermediate Similarity NPC191565
0.7843 Intermediate Similarity NPC17183
0.7843 Intermediate Similarity NPC474793
0.783 Intermediate Similarity NPC166993
0.783 Intermediate Similarity NPC251824
0.783 Intermediate Similarity NPC86852
0.7822 Intermediate Similarity NPC13949
0.7822 Intermediate Similarity NPC470387
0.7822 Intermediate Similarity NPC200054
0.7822 Intermediate Similarity NPC29410
0.7822 Intermediate Similarity NPC223169
0.7822 Intermediate Similarity NPC473964
0.781 Intermediate Similarity NPC29705
0.78 Intermediate Similarity NPC272635
0.78 Intermediate Similarity NPC78580
0.78 Intermediate Similarity NPC169751
0.78 Intermediate Similarity NPC23621
0.78 Intermediate Similarity NPC184006
0.7798 Intermediate Similarity NPC40608
0.7789 Intermediate Similarity NPC97505
0.7788 Intermediate Similarity NPC170615
0.7788 Intermediate Similarity NPC124544
0.7788 Intermediate Similarity NPC164551
0.7778 Intermediate Similarity NPC211403
0.7778 Intermediate Similarity NPC474567
0.7778 Intermediate Similarity NPC198242
0.7778 Intermediate Similarity NPC471901
0.7778 Intermediate Similarity NPC250753
0.7778 Intermediate Similarity NPC470230
0.7767 Intermediate Similarity NPC475156
0.7767 Intermediate Similarity NPC37047
0.7767 Intermediate Similarity NPC180733
0.7767 Intermediate Similarity NPC473576
0.7767 Intermediate Similarity NPC41971
0.7767 Intermediate Similarity NPC470388
0.7767 Intermediate Similarity NPC55503
0.7767 Intermediate Similarity NPC156324
0.7767 Intermediate Similarity NPC472972
0.7757 Intermediate Similarity NPC273155
0.7757 Intermediate Similarity NPC231278
0.7757 Intermediate Similarity NPC112895
0.7757 Intermediate Similarity NPC218123
0.7757 Intermediate Similarity NPC153587
0.7755 Intermediate Similarity NPC194642
0.7755 Intermediate Similarity NPC475108
0.7745 Intermediate Similarity NPC89225
0.7745 Intermediate Similarity NPC26413
0.7745 Intermediate Similarity NPC111187
0.7745 Intermediate Similarity NPC473963
0.7745 Intermediate Similarity NPC190080
0.7736 Intermediate Similarity NPC222833
0.7736 Intermediate Similarity NPC472655
0.7727 Intermediate Similarity NPC208998
0.7727 Intermediate Similarity NPC7921
0.7723 Intermediate Similarity NPC263135
0.7723 Intermediate Similarity NPC195715
0.7723 Intermediate Similarity NPC272617
0.7723 Intermediate Similarity NPC197158
0.7723 Intermediate Similarity NPC288906
0.7723 Intermediate Similarity NPC98639
0.7723 Intermediate Similarity NPC474727
0.7723 Intermediate Similarity NPC157686
0.7723 Intermediate Similarity NPC279974
0.7723 Intermediate Similarity NPC62407
0.7723 Intermediate Similarity NPC259042
0.7723 Intermediate Similarity NPC287354
0.7723 Intermediate Similarity NPC23241
0.7723 Intermediate Similarity NPC471624
0.7714 Intermediate Similarity NPC122811
0.7714 Intermediate Similarity NPC277074
0.7714 Intermediate Similarity NPC222153
0.7714 Intermediate Similarity NPC96217
0.7714 Intermediate Similarity NPC282233
0.7714 Intermediate Similarity NPC209298
0.7714 Intermediate Similarity NPC95899
0.7714 Intermediate Similarity NPC95585
0.7714 Intermediate Similarity NPC275583
0.7708 Intermediate Similarity NPC164424
0.7708 Intermediate Similarity NPC477445
0.7706 Intermediate Similarity NPC157476
0.77 Intermediate Similarity NPC471902
0.77 Intermediate Similarity NPC294263
0.77 Intermediate Similarity NPC473690
0.77 Intermediate Similarity NPC287118
0.7692 Intermediate Similarity NPC75941
0.7692 Intermediate Similarity NPC148279
0.7692 Intermediate Similarity NPC242666
0.7692 Intermediate Similarity NPC308824
0.7692 Intermediate Similarity NPC236585
0.7684 Intermediate Similarity NPC471037
0.7679 Intermediate Similarity NPC287343
0.7679 Intermediate Similarity NPC470854
0.7679 Intermediate Similarity NPC97908
0.7679 Intermediate Similarity NPC122033
0.7679 Intermediate Similarity NPC474654
0.7677 Intermediate Similarity NPC470378
0.7677 Intermediate Similarity NPC232202
0.7677 Intermediate Similarity NPC261994
0.7677 Intermediate Similarity NPC149761
0.767 Intermediate Similarity NPC164349
0.7658 Intermediate Similarity NPC117712
0.7647 Intermediate Similarity NPC472806
0.7647 Intermediate Similarity NPC98874
0.7647 Intermediate Similarity NPC284518
0.7647 Intermediate Similarity NPC93245
0.7647 Intermediate Similarity NPC327788
0.7647 Intermediate Similarity NPC167193
0.7647 Intermediate Similarity NPC62516
0.7647 Intermediate Similarity NPC256227
0.7647 Intermediate Similarity NPC157113
0.7647 Intermediate Similarity NPC132824

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477653 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
0.8095 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD8035 Phase 2
0.76 Intermediate Similarity NPD8034 Phase 2
0.7573 Intermediate Similarity NPD7902 Approved
0.7451 Intermediate Similarity NPD7748 Approved
0.7387 Intermediate Similarity NPD6649 Approved
0.7387 Intermediate Similarity NPD6650 Approved
0.7364 Intermediate Similarity NPD6372 Approved
0.7364 Intermediate Similarity NPD6373 Approved
0.7353 Intermediate Similarity NPD6399 Phase 3
0.7339 Intermediate Similarity NPD5697 Approved
0.7328 Intermediate Similarity NPD6319 Approved
0.7282 Intermediate Similarity NPD7900 Approved
0.7282 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6899 Approved
0.7273 Intermediate Similarity NPD6881 Approved
0.7265 Intermediate Similarity NPD6921 Approved
0.7255 Intermediate Similarity NPD7515 Phase 2
0.7248 Intermediate Similarity NPD6402 Approved
0.7248 Intermediate Similarity NPD5739 Approved
0.7248 Intermediate Similarity NPD6675 Approved
0.7248 Intermediate Similarity NPD7128 Approved
0.7207 Intermediate Similarity NPD6013 Approved
0.7207 Intermediate Similarity NPD6014 Approved
0.7207 Intermediate Similarity NPD6012 Approved
0.7182 Intermediate Similarity NPD5701 Approved
0.7172 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7638 Approved
0.717 Intermediate Similarity NPD5696 Approved
0.7143 Intermediate Similarity NPD7102 Approved
0.7143 Intermediate Similarity NPD8328 Phase 3
0.7143 Intermediate Similarity NPD7290 Approved
0.7143 Intermediate Similarity NPD6883 Approved
0.7117 Intermediate Similarity NPD7320 Approved
0.7117 Intermediate Similarity NPD6011 Approved
0.7105 Intermediate Similarity NPD4632 Approved
0.7103 Intermediate Similarity NPD7639 Approved
0.7103 Intermediate Similarity NPD7640 Approved
0.7083 Intermediate Similarity NPD7492 Approved
0.708 Intermediate Similarity NPD6617 Approved
0.708 Intermediate Similarity NPD6869 Approved
0.708 Intermediate Similarity NPD8130 Phase 1
0.708 Intermediate Similarity NPD6847 Approved
0.7075 Intermediate Similarity NPD6084 Phase 2
0.7075 Intermediate Similarity NPD6083 Phase 2
0.7049 Intermediate Similarity NPD7736 Approved
0.7048 Intermediate Similarity NPD5695 Phase 3
0.7034 Intermediate Similarity NPD6054 Approved
0.7025 Intermediate Similarity NPD6616 Approved
0.7018 Intermediate Similarity NPD8297 Approved
0.7018 Intermediate Similarity NPD6882 Approved
0.6991 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6991 Remote Similarity NPD4634 Approved
0.6981 Remote Similarity NPD4697 Phase 3
0.6975 Remote Similarity NPD6016 Approved
0.6975 Remote Similarity NPD6015 Approved
0.6967 Remote Similarity NPD7078 Approved
0.6952 Remote Similarity NPD5282 Discontinued
0.6944 Remote Similarity NPD4696 Approved
0.6944 Remote Similarity NPD5285 Approved
0.6944 Remote Similarity NPD5286 Approved
0.6937 Remote Similarity NPD6008 Approved
0.6931 Remote Similarity NPD3618 Phase 1
0.6923 Remote Similarity NPD7115 Discovery
0.6923 Remote Similarity NPD6009 Approved
0.6923 Remote Similarity NPD6411 Approved
0.6923 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6370 Approved
0.6917 Remote Similarity NPD5988 Approved
0.6916 Remote Similarity NPD4755 Approved
0.6903 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6891 Remote Similarity NPD6059 Approved
0.6863 Remote Similarity NPD3573 Approved
0.6833 Remote Similarity NPD5983 Phase 2
0.6829 Remote Similarity NPD8293 Discontinued
0.6822 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5221 Approved
0.6822 Remote Similarity NPD5222 Approved
0.6818 Remote Similarity NPD5225 Approved
0.6818 Remote Similarity NPD5226 Approved
0.6818 Remote Similarity NPD5211 Phase 2
0.6818 Remote Similarity NPD4633 Approved
0.6818 Remote Similarity NPD5224 Approved
0.6804 Remote Similarity NPD6697 Approved
0.6804 Remote Similarity NPD6118 Approved
0.6804 Remote Similarity NPD6115 Approved
0.6804 Remote Similarity NPD6114 Approved
0.6796 Remote Similarity NPD5737 Approved
0.6796 Remote Similarity NPD6672 Approved
0.6789 Remote Similarity NPD4700 Approved
0.6783 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6765 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5173 Approved
0.6757 Remote Similarity NPD5174 Approved
0.6757 Remote Similarity NPD5175 Approved
0.6754 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6731 Remote Similarity NPD4753 Phase 2
0.6731 Remote Similarity NPD6101 Approved
0.6729 Remote Similarity NPD5210 Approved
0.6729 Remote Similarity NPD4629 Approved
0.6727 Remote Similarity NPD5223 Approved
0.6726 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7604 Phase 2
0.67 Remote Similarity NPD3667 Approved
0.6698 Remote Similarity NPD5779 Approved
0.6698 Remote Similarity NPD5778 Approved
0.6697 Remote Similarity NPD4225 Approved
0.6696 Remote Similarity NPD5141 Approved
0.6695 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD8133 Approved
0.6639 Remote Similarity NPD6317 Approved
0.6635 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6336 Discontinued
0.6604 Remote Similarity NPD6079 Approved
0.6604 Remote Similarity NPD7637 Suspended
0.6602 Remote Similarity NPD7334 Approved
0.6602 Remote Similarity NPD6409 Approved
0.6602 Remote Similarity NPD7521 Approved
0.6602 Remote Similarity NPD5330 Approved
0.6602 Remote Similarity NPD7146 Approved
0.6602 Remote Similarity NPD6684 Approved
0.6602 Remote Similarity NPD6098 Approved
0.6598 Remote Similarity NPD6117 Approved
0.6587 Remote Similarity NPD7319 Approved
0.6583 Remote Similarity NPD6335 Approved
0.6583 Remote Similarity NPD6314 Approved
0.6583 Remote Similarity NPD6313 Approved
0.6574 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6904 Approved
0.6571 Remote Similarity NPD6080 Approved
0.6571 Remote Similarity NPD5328 Approved
0.6571 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6673 Approved
0.6569 Remote Similarity NPD4786 Approved
0.6557 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6868 Approved
0.6542 Remote Similarity NPD4202 Approved
0.6531 Remote Similarity NPD6116 Phase 1
0.6522 Remote Similarity NPD4729 Approved
0.6522 Remote Similarity NPD4730 Approved
0.6518 Remote Similarity NPD7632 Discontinued
0.65 Remote Similarity NPD4695 Discontinued
0.6495 Remote Similarity NPD3703 Phase 2
0.6491 Remote Similarity NPD4767 Approved
0.6491 Remote Similarity NPD4768 Approved
0.6476 Remote Similarity NPD6903 Approved
0.6471 Remote Similarity NPD4788 Approved
0.646 Remote Similarity NPD4754 Approved
0.6449 Remote Similarity NPD5281 Approved
0.6449 Remote Similarity NPD5284 Approved
0.6449 Remote Similarity NPD5694 Approved
0.6449 Remote Similarity NPD5693 Phase 1
0.6435 Remote Similarity NPD6412 Phase 2
0.6429 Remote Similarity NPD1700 Approved
0.6423 Remote Similarity NPD6908 Approved
0.6423 Remote Similarity NPD6909 Approved
0.641 Remote Similarity NPD5247 Approved
0.641 Remote Similarity NPD5249 Phase 3
0.641 Remote Similarity NPD5250 Approved
0.641 Remote Similarity NPD5251 Approved
0.641 Remote Similarity NPD5248 Approved
0.6408 Remote Similarity NPD3665 Phase 1
0.6408 Remote Similarity NPD3133 Approved
0.6408 Remote Similarity NPD3668 Phase 3
0.6408 Remote Similarity NPD3666 Approved
0.6408 Remote Similarity NPD4197 Approved
0.64 Remote Similarity NPD7645 Phase 2
0.6392 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5128 Approved
0.6379 Remote Similarity NPD6686 Approved
0.6378 Remote Similarity NPD6033 Approved
0.6356 Remote Similarity NPD5215 Approved
0.6356 Remote Similarity NPD5216 Approved
0.6356 Remote Similarity NPD5217 Approved
0.6355 Remote Similarity NPD5692 Phase 3
0.6349 Remote Similarity NPD7507 Approved
0.6346 Remote Similarity NPD1694 Approved
0.6346 Remote Similarity NPD5329 Approved
0.6337 Remote Similarity NPD7525 Registered
0.633 Remote Similarity NPD6001 Approved
0.6316 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6050 Approved
0.6286 Remote Similarity NPD5690 Phase 2
0.6286 Remote Similarity NPD5279 Phase 3
0.6275 Remote Similarity NPD5369 Approved
0.6271 Remote Similarity NPD5169 Approved
0.6271 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6271 Remote Similarity NPD5135 Approved
0.6239 Remote Similarity NPD5168 Approved
0.6218 Remote Similarity NPD5127 Approved
0.6214 Remote Similarity NPD4221 Approved
0.6214 Remote Similarity NPD4223 Phase 3
0.6214 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5207 Approved
0.6194 Remote Similarity NPD6334 Approved
0.6194 Remote Similarity NPD6333 Approved

Structure

External Identifiers

PubChem CID   90683060
ChEMBL   CHEMBL3298356
ZINC  

Physicochemical Properties

Molecular Weight:  330.18
ALogP:  0.2692
MLogP:  3.22
XLogP:  2.817
# Rotatable Bonds:  4
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  24

Download Data

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Biological Activities  
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