Natural Product: NPC307865

Natural Product ID:  NPC307865
Common Name:   Colartin
IUPAC Name:   (3S,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
Synonyms:   Colartin
Molecular Formula:   C15H24O4
Standard InCHIKey:  JZWIOLGEFWVOLI-PDIQHLCYSA-N
Standard InCHI:  InChI=1S/C15H24O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h8-12,16,18H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1
Canonical SMILES:  C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)CC[C@H]1O)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
NPO25825 Saussurea costus Species Asteraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC > 800 ug/ml 14510592
NPT1605 Organism Enterococcus Enterococcus MIC > 800 ug/ml 14510592
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 800 ug/ml 14510592
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 800 ug/ml 14510592
NPT377 Cell Line OVCAR-3 Homo sapiens CD50 = 100 ug/ml 14510592
NPT165 Cell Line HeLa Homo sapiens CD50 = 100 ug/ml 14510592
NPT65 Cell Line HepG2 Homo sapiens CD50 > 100 ug/ml 14510592

  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 NPC307865 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
0.9167 High Similarity NPC109510
0.8961 High Similarity NPC475743
0.8734 High Similarity NPC15091
0.8659 High Similarity NPC471221
0.8649 High Similarity NPC474755
0.8625 High Similarity NPC79308
0.8625 High Similarity NPC473299
0.8533 High Similarity NPC55508
0.8519 High Similarity NPC477445
0.8481 Intermediate Similarity NPC280781
0.8481 Intermediate Similarity NPC58631
0.8481 Intermediate Similarity NPC48756
0.8395 Intermediate Similarity NPC477434
0.8354 Intermediate Similarity NPC134227
0.8354 Intermediate Similarity NPC125366
0.8333 Intermediate Similarity NPC84562
0.8333 Intermediate Similarity NPC477440
0.8333 Intermediate Similarity NPC477443
0.825 Intermediate Similarity NPC223330
0.825 Intermediate Similarity NPC209318
0.8235 Intermediate Similarity NPC477433
0.8235 Intermediate Similarity NPC477444
0.8235 Intermediate Similarity NPC477442
0.8219 Intermediate Similarity NPC41542
0.8219 Intermediate Similarity NPC476928
0.8205 Intermediate Similarity NPC317913
0.8205 Intermediate Similarity NPC143250
0.8205 Intermediate Similarity NPC207010
0.8171 Intermediate Similarity NPC65133
0.8171 Intermediate Similarity NPC34984
0.8171 Intermediate Similarity NPC25037
0.8118 Intermediate Similarity NPC194642
0.8101 Intermediate Similarity NPC472608
0.8077 Intermediate Similarity NPC4209
0.8072 Intermediate Similarity NPC62572
0.8046 Intermediate Similarity NPC147272
0.8028 Intermediate Similarity NPC306750
0.8025 Intermediate Similarity NPC474870
0.8025 Intermediate Similarity NPC470156
0.8025 Intermediate Similarity NPC271572
0.8023 Intermediate Similarity NPC470114
0.8 Intermediate Similarity NPC476379
0.8 Intermediate Similarity NPC80891
0.8 Intermediate Similarity NPC476435
0.8 Intermediate Similarity NPC201276
0.8 Intermediate Similarity NPC474754
0.8 Intermediate Similarity NPC73013
0.7978 Intermediate Similarity NPC93245
0.7955 Intermediate Similarity NPC247877
0.7955 Intermediate Similarity NPC309127
0.7952 Intermediate Similarity NPC97505
0.7949 Intermediate Similarity NPC212733
0.7945 Intermediate Similarity NPC19311
0.7945 Intermediate Similarity NPC230047
0.7931 Intermediate Similarity NPC475878
0.7931 Intermediate Similarity NPC474065
0.7927 Intermediate Similarity NPC477447
0.7927 Intermediate Similarity NPC289486
0.7927 Intermediate Similarity NPC13494
0.7927 Intermediate Similarity NPC477446
0.7927 Intermediate Similarity NPC470155
0.7927 Intermediate Similarity NPC61107
0.7907 Intermediate Similarity NPC471459
0.7907 Intermediate Similarity NPC67653
0.7907 Intermediate Similarity NPC77001
0.7907 Intermediate Similarity NPC253618
0.7901 Intermediate Similarity NPC261616
0.7901 Intermediate Similarity NPC472943
0.7901 Intermediate Similarity NPC472951
0.7889 Intermediate Similarity NPC473963
0.7889 Intermediate Similarity NPC136781
0.7887 Intermediate Similarity NPC478126
0.7882 Intermediate Similarity NPC305029
0.7875 Intermediate Similarity NPC324700
0.7875 Intermediate Similarity NPC243594
0.7875 Intermediate Similarity NPC80089
0.7875 Intermediate Similarity NPC171426
0.7875 Intermediate Similarity NPC475725
0.7875 Intermediate Similarity NPC224802
0.7875 Intermediate Similarity NPC31031
0.7875 Intermediate Similarity NPC34046
0.7857 Intermediate Similarity NPC473350
0.7848 Intermediate Similarity NPC474020
0.7848 Intermediate Similarity NPC92489
0.7841 Intermediate Similarity NPC472232
0.7841 Intermediate Similarity NPC472231
0.7831 Intermediate Similarity NPC243347
0.7821 Intermediate Similarity NPC167702
0.7821 Intermediate Similarity NPC280026
0.7816 Intermediate Similarity NPC472146
0.7816 Intermediate Similarity NPC185529
0.7805 Intermediate Similarity NPC470154
0.7805 Intermediate Similarity NPC50658
0.7805 Intermediate Similarity NPC12933
0.7792 Intermediate Similarity NPC89310
0.7778 Intermediate Similarity NPC116683
0.7778 Intermediate Similarity NPC235109
0.7778 Intermediate Similarity NPC275243
0.7778 Intermediate Similarity NPC320144
0.7778 Intermediate Similarity NPC473964
0.7765 Intermediate Similarity NPC9231
0.7765 Intermediate Similarity NPC120395
0.7765 Intermediate Similarity NPC477441
0.7765 Intermediate Similarity NPC6979
0.7765 Intermediate Similarity NPC92139
0.7765 Intermediate Similarity NPC85698
0.7765 Intermediate Similarity NPC248216
0.7753 Intermediate Similarity NPC225474
0.7753 Intermediate Similarity NPC24861
0.7753 Intermediate Similarity NPC148000
0.7753 Intermediate Similarity NPC470424
0.7753 Intermediate Similarity NPC469596
0.775 Intermediate Similarity NPC143133
0.775 Intermediate Similarity NPC471151
0.775 Intermediate Similarity NPC298168
0.775 Intermediate Similarity NPC474433
0.7738 Intermediate Similarity NPC319909
0.7738 Intermediate Similarity NPC471044
0.7738 Intermediate Similarity NPC105895
0.7738 Intermediate Similarity NPC473336
0.7738 Intermediate Similarity NPC475689
0.7722 Intermediate Similarity NPC179858
0.7711 Intermediate Similarity NPC100366
0.7711 Intermediate Similarity NPC242771
0.7711 Intermediate Similarity NPC311642
0.7711 Intermediate Similarity NPC121121
0.7711 Intermediate Similarity NPC164289
0.7701 Intermediate Similarity NPC200580
0.7674 Intermediate Similarity NPC181103
0.7674 Intermediate Similarity NPC239938
0.7667 Intermediate Similarity NPC82633
0.7667 Intermediate Similarity NPC259042
0.7667 Intermediate Similarity NPC157686
0.7654 Intermediate Similarity NPC185465
0.7654 Intermediate Similarity NPC252483
0.7654 Intermediate Similarity NPC191345
0.7647 Intermediate Similarity NPC476715
0.7647 Intermediate Similarity NPC477205
0.7647 Intermediate Similarity NPC478111
0.764 Intermediate Similarity NPC476189
0.764 Intermediate Similarity NPC472148
0.764 Intermediate Similarity NPC472147
0.7639 Intermediate Similarity NPC204173
0.7634 Intermediate Similarity NPC475958
0.7625 Intermediate Similarity NPC477932
0.7625 Intermediate Similarity NPC471046
0.7625 Intermediate Similarity NPC477933
0.7619 Intermediate Similarity NPC259173
0.7614 Intermediate Similarity NPC153853
0.7614 Intermediate Similarity NPC50443
0.7614 Intermediate Similarity NPC18536
0.7609 Intermediate Similarity NPC472144
0.7609 Intermediate Similarity NPC253995
0.7609 Intermediate Similarity NPC474724
0.7595 Intermediate Similarity NPC317212
0.7595 Intermediate Similarity NPC470151
0.7595 Intermediate Similarity NPC472945
0.7595 Intermediate Similarity NPC472944
0.759 Intermediate Similarity NPC475951
0.759 Intermediate Similarity NPC476071
0.7586 Intermediate Similarity NPC221993
0.7586 Intermediate Similarity NPC226491
0.7586 Intermediate Similarity NPC477614
0.7586 Intermediate Similarity NPC236459
0.7582 Intermediate Similarity NPC475785
0.7582 Intermediate Similarity NPC475765
0.7582 Intermediate Similarity NPC163685
0.7582 Intermediate Similarity NPC193785
0.7564 Intermediate Similarity NPC478227
0.7564 Intermediate Similarity NPC469940
0.7558 Intermediate Similarity NPC474215
0.7558 Intermediate Similarity NPC250981
0.7558 Intermediate Similarity NPC83242
0.7558 Intermediate Similarity NPC475729
0.7558 Intermediate Similarity NPC476717
0.7558 Intermediate Similarity NPC472272
0.7558 Intermediate Similarity NPC471410
0.7558 Intermediate Similarity NPC185638
0.7558 Intermediate Similarity NPC471411
0.7532 Intermediate Similarity NPC131892
0.7532 Intermediate Similarity NPC213178
0.7532 Intermediate Similarity NPC6120
0.7532 Intermediate Similarity NPC327728
0.7532 Intermediate Similarity NPC196197
0.7531 Intermediate Similarity NPC474404
0.7531 Intermediate Similarity NPC477918
0.7531 Intermediate Similarity NPC23884
0.7531 Intermediate Similarity NPC475031
0.7529 Intermediate Similarity NPC18953
0.7529 Intermediate Similarity NPC219535
0.7529 Intermediate Similarity NPC291310
0.7529 Intermediate Similarity NPC237938
0.7528 Intermediate Similarity NPC216137
0.7527 Intermediate Similarity NPC477655
0.75 Intermediate Similarity NPC2096
0.75 Intermediate Similarity NPC472984
0.75 Intermediate Similarity NPC202688
0.75 Intermediate Similarity NPC74466
0.75 Intermediate Similarity NPC477935
0.75 Intermediate Similarity NPC116620

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307865 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
0.8205 Intermediate Similarity NPD6116 Phase 1
0.8077 Intermediate Similarity NPD6117 Approved
0.7875 Intermediate Similarity NPD6115 Approved
0.7875 Intermediate Similarity NPD6697 Approved
0.7875 Intermediate Similarity NPD6114 Approved
0.7875 Intermediate Similarity NPD6118 Approved
0.7821 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3702 Approved
0.7342 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD8034 Phase 2
0.7333 Intermediate Similarity NPD8035 Phase 2
0.7284 Intermediate Similarity NPD3703 Phase 2
0.7237 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD229 Approved
0.7143 Intermediate Similarity NPD4224 Phase 2
0.7125 Intermediate Similarity NPD5777 Approved
0.7089 Intermediate Similarity NPD3698 Phase 2
0.7083 Intermediate Similarity NPD1700 Approved
0.7045 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4244 Approved
0.7 Intermediate Similarity NPD4245 Approved
0.6962 Remote Similarity NPD5360 Phase 3
0.6962 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6081 Approved
0.6882 Remote Similarity NPD6399 Phase 3
0.6875 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3671 Phase 1
0.68 Remote Similarity NPD5739 Approved
0.68 Remote Similarity NPD6402 Approved
0.68 Remote Similarity NPD6675 Approved
0.68 Remote Similarity NPD7128 Approved
0.6795 Remote Similarity NPD9496 Clinical (unspecified phase)
0.679 Remote Similarity NPD4789 Approved
0.6771 Remote Similarity NPD7902 Approved
0.6765 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6765 Remote Similarity NPD6373 Approved
0.6765 Remote Similarity NPD6372 Approved
0.6733 Remote Similarity NPD5701 Approved
0.6733 Remote Similarity NPD5697 Approved
0.6707 Remote Similarity NPD4758 Discontinued
0.6699 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6635 Remote Similarity NPD6649 Approved
0.6635 Remote Similarity NPD6650 Approved
0.6632 Remote Similarity NPD7748 Approved
0.6602 Remote Similarity NPD6014 Approved
0.6602 Remote Similarity NPD6013 Approved
0.6602 Remote Similarity NPD6012 Approved
0.6596 Remote Similarity NPD7515 Phase 2
0.6593 Remote Similarity NPD3618 Phase 1
0.6591 Remote Similarity NPD1780 Approved
0.6591 Remote Similarity NPD1779 Approved
0.6575 Remote Similarity NPD615 Clinical (unspecified phase)
0.6575 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7102 Approved
0.6538 Remote Similarity NPD6883 Approved
0.6538 Remote Similarity NPD7290 Approved
0.6531 Remote Similarity NPD4225 Approved
0.6505 Remote Similarity NPD6011 Approved
0.6476 Remote Similarity NPD6847 Approved
0.6476 Remote Similarity NPD6869 Approved
0.6476 Remote Similarity NPD6617 Approved
0.6476 Remote Similarity NPD8130 Phase 1
0.6458 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6458 Remote Similarity NPD7900 Approved
0.6456 Remote Similarity NPD371 Approved
0.6444 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6444 Remote Similarity NPD3669 Approved
0.6442 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6437 Remote Similarity NPD5364 Discontinued
0.6429 Remote Similarity NPD4755 Approved
0.6429 Remote Similarity NPD6083 Phase 2
0.6429 Remote Similarity NPD6084 Phase 2
0.6415 Remote Similarity NPD6882 Approved
0.6415 Remote Similarity NPD8297 Approved
0.6408 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6373 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5696 Approved
0.6364 Remote Similarity NPD7638 Approved
0.6364 Remote Similarity NPD3198 Approved
0.6354 Remote Similarity NPD4202 Approved
0.6333 Remote Similarity NPD3667 Approved
0.6321 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6008 Approved
0.6304 Remote Similarity NPD1694 Approved
0.63 Remote Similarity NPD5286 Approved
0.63 Remote Similarity NPD5285 Approved
0.63 Remote Similarity NPD4700 Approved
0.63 Remote Similarity NPD8418 Phase 2
0.63 Remote Similarity NPD4696 Approved
0.63 Remote Similarity NPD7639 Approved
0.63 Remote Similarity NPD7640 Approved
0.6292 Remote Similarity NPD6928 Phase 2
0.6239 Remote Similarity NPD6274 Approved
0.6224 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5695 Phase 3
0.6211 Remote Similarity NPD5328 Approved
0.6204 Remote Similarity NPD8133 Approved
0.6196 Remote Similarity NPD4786 Approved
0.619 Remote Similarity NPD4787 Phase 1
0.6182 Remote Similarity NPD7115 Discovery
0.6176 Remote Similarity NPD4633 Approved
0.6176 Remote Similarity NPD5225 Approved
0.6176 Remote Similarity NPD5211 Phase 2
0.6176 Remote Similarity NPD7632 Discontinued
0.6176 Remote Similarity NPD5224 Approved
0.6176 Remote Similarity NPD5226 Approved
0.6162 Remote Similarity NPD4697 Phase 3
0.6117 Remote Similarity NPD5174 Approved
0.6117 Remote Similarity NPD5175 Approved
0.6111 Remote Similarity NPD7525 Registered
0.6106 Remote Similarity NPD6921 Approved
0.6106 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4788 Approved
0.6082 Remote Similarity NPD6411 Approved
0.6082 Remote Similarity NPD6079 Approved
0.6078 Remote Similarity NPD5223 Approved
0.6071 Remote Similarity NPD7101 Approved
0.6071 Remote Similarity NPD7100 Approved
0.6067 Remote Similarity NPD4802 Phase 2
0.6067 Remote Similarity NPD4238 Approved
0.6064 Remote Similarity NPD7146 Approved
0.6064 Remote Similarity NPD6684 Approved
0.6064 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5330 Approved
0.6064 Remote Similarity NPD7521 Approved
0.6064 Remote Similarity NPD6409 Approved
0.6064 Remote Similarity NPD7334 Approved
0.6058 Remote Similarity NPD5141 Approved
0.6056 Remote Similarity NPD384 Approved
0.6056 Remote Similarity NPD385 Approved
0.6055 Remote Similarity NPD4632 Approved
0.6049 Remote Similarity NPD7909 Approved
0.6042 Remote Similarity NPD4753 Phase 2
0.6036 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6317 Approved
0.6022 Remote Similarity NPD3665 Phase 1
0.6022 Remote Similarity NPD3666 Approved
0.6022 Remote Similarity NPD3133 Approved
0.6018 Remote Similarity NPD6319 Approved
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6 Remote Similarity NPD3573 Approved
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD5221 Approved
0.5982 Remote Similarity NPD6314 Approved
0.5982 Remote Similarity NPD6313 Approved
0.5982 Remote Similarity NPD6335 Approved
0.5978 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5977 Remote Similarity NPD1810 Approved
0.5977 Remote Similarity NPD1811 Approved
0.5972 Remote Similarity NPD2266 Phase 2
0.5965 Remote Similarity NPD6909 Approved
0.5965 Remote Similarity NPD6908 Approved
0.5962 Remote Similarity NPD4754 Approved
0.596 Remote Similarity NPD6001 Approved
0.5948 Remote Similarity NPD7492 Approved
0.5946 Remote Similarity NPD6940 Discontinued
0.5941 Remote Similarity NPD5173 Approved
0.5938 Remote Similarity NPD6672 Approved
0.5938 Remote Similarity NPD5737 Approved
0.5938 Remote Similarity NPD6903 Approved
0.5938 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5921 Remote Similarity NPD3728 Approved
0.5921 Remote Similarity NPD3730 Approved
0.5918 Remote Similarity NPD5281 Approved
0.5918 Remote Similarity NPD5284 Approved
0.5915 Remote Similarity NPD634 Phase 3
0.59 Remote Similarity NPD1698 Clinical (unspecified phase)
0.59 Remote Similarity NPD4629 Approved
0.59 Remote Similarity NPD5210 Approved
0.5897 Remote Similarity NPD6616 Approved
0.5893 Remote Similarity NPD6009 Approved
0.5888 Remote Similarity NPD4730 Approved
0.5888 Remote Similarity NPD6686 Approved
0.5888 Remote Similarity NPD4729 Approved
0.5888 Remote Similarity NPD5128 Approved
0.5882 Remote Similarity NPD3726 Approved
0.5882 Remote Similarity NPD3725 Approved
0.5877 Remote Similarity NPD6059 Approved
0.5877 Remote Similarity NPD6054 Approved
0.5876 Remote Similarity NPD6101 Approved
0.5876 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5859 Remote Similarity NPD8171 Discontinued
0.5851 Remote Similarity NPD3668 Phase 3
0.5849 Remote Similarity NPD6920 Discontinued
0.5847 Remote Similarity NPD8293 Discontinued
0.5847 Remote Similarity NPD7078 Approved
0.5826 Remote Similarity NPD5983 Phase 2
0.5826 Remote Similarity NPD6015 Approved
0.5826 Remote Similarity NPD6016 Approved
0.5824 Remote Similarity NPD7645 Phase 2

Structure

External Identifiers

PubChem CID   11119093
ChEMBL   CHEMBL459399
ZINC  

Physicochemical Properties

Molecular Weight:  268.17
ALogP:  -0.4457
MLogP:  2.67
XLogP:  1.367
# Rotatable Bonds:  5
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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