Natural Product: NPC206764

Natural Product ID:  NPC206764
Common Name:   1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
IUPAC Name:   (E,5R)-5-hydroxy-1,7-diphenylhept-6-en-3-one
Synonyms:  
Molecular Formula:   C19H20O2
Standard InCHIKey:  NEQGOKAKPXXESR-YLZCUGDYSA-N
Standard InCHI:  InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,18,20H,12,14-15H2/b13-11+/t18-/m0/s1
Canonical SMILES:  O[C@H](CC(=O)CCc1ccccc1)/C=C/c1ccccc1
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
NPO22901 Curcuma comosa Species Zingiberaceae Eukaryota PMID[8176399]
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota PMID[22459211]
NPO29538 Curcumae radix NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans EC95 = 1 ug/ml 8176399
NPT2 Others Unspecified Ratio = 4 22459211
NPT2 Others Unspecified Ratio = 1 22459211
NPT2 Others Unspecified Ratio = 2 22459211
NPT2 Others Unspecified Ratio = 8 22459211
NPT1107 Organism Mycobacterium smegmatis str. MC2 155 Mycobacterium smegmatis str. MC2 155 MIC = 64 ug/ml 22459211
NPT2 Others Unspecified FC = 4 22459211

  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 NPC206764 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
0.9659 High Similarity NPC141607
0.9659 High Similarity NPC187725
0.914 High Similarity NPC289201
0.9 High Similarity NPC231591
0.8764 High Similarity NPC99482
0.8646 High Similarity NPC317280
0.8646 High Similarity NPC329387
0.8636 High Similarity NPC283012
0.8636 High Similarity NPC475199
0.8627 High Similarity NPC252544
0.8627 High Similarity NPC321252
0.8544 High Similarity NPC177576
0.8427 Intermediate Similarity NPC73637
0.8427 Intermediate Similarity NPC121478
0.8409 Intermediate Similarity NPC184030
0.8409 Intermediate Similarity NPC164449
0.84 Intermediate Similarity NPC249067
0.8352 Intermediate Similarity NPC123476
0.8317 Intermediate Similarity NPC321670
0.8302 Intermediate Similarity NPC285350
0.8252 Intermediate Similarity NPC317305
0.8235 Intermediate Similarity NPC193640
0.8235 Intermediate Similarity NPC475905
0.8235 Intermediate Similarity NPC25385
0.8132 Intermediate Similarity NPC44830
0.81 Intermediate Similarity NPC158623
0.809 Intermediate Similarity NPC272260
0.8085 Intermediate Similarity NPC477704
0.8085 Intermediate Similarity NPC477693
0.8077 Intermediate Similarity NPC475282
0.8068 Intermediate Similarity NPC9796
0.8056 Intermediate Similarity NPC23402
0.8039 Intermediate Similarity NPC261573
0.8039 Intermediate Similarity NPC120693
0.8039 Intermediate Similarity NPC8931
0.8019 Intermediate Similarity NPC471188
0.8 Intermediate Similarity NPC249435
0.7981 Intermediate Similarity NPC20485
0.7961 Intermediate Similarity NPC474307
0.7928 Intermediate Similarity NPC182240
0.79 Intermediate Similarity NPC175852
0.79 Intermediate Similarity NPC160548
0.79 Intermediate Similarity NPC210529
0.7885 Intermediate Similarity NPC188677
0.7864 Intermediate Similarity NPC19136
0.7857 Intermediate Similarity NPC34243
0.7857 Intermediate Similarity NPC265454
0.7857 Intermediate Similarity NPC34634
0.7849 Intermediate Similarity NPC304538
0.7835 Intermediate Similarity NPC317645
0.7822 Intermediate Similarity NPC476042
0.7822 Intermediate Similarity NPC54647
0.7812 Intermediate Similarity NPC9822
0.781 Intermediate Similarity NPC211439
0.7802 Intermediate Similarity NPC127343
0.78 Intermediate Similarity NPC477767
0.7789 Intermediate Similarity NPC194326
0.7788 Intermediate Similarity NPC471186
0.7766 Intermediate Similarity NPC95965
0.7766 Intermediate Similarity NPC475710
0.7723 Intermediate Similarity NPC476120
0.7723 Intermediate Similarity NPC271475
0.7717 Intermediate Similarity NPC117180
0.7714 Intermediate Similarity NPC69332
0.7714 Intermediate Similarity NPC29989
0.7714 Intermediate Similarity NPC95178
0.7714 Intermediate Similarity NPC70843
0.7692 Intermediate Similarity NPC139901
0.7692 Intermediate Similarity NPC151405
0.7664 Intermediate Similarity NPC88141
0.7652 Intermediate Similarity NPC86900
0.7647 Intermediate Similarity NPC51333
0.7647 Intermediate Similarity NPC78119
0.7647 Intermediate Similarity NPC132078
0.7647 Intermediate Similarity NPC216468
0.7634 Intermediate Similarity NPC329319
0.7634 Intermediate Similarity NPC103326
0.7634 Intermediate Similarity NPC99394
0.7634 Intermediate Similarity NPC87299
0.7632 Intermediate Similarity NPC98305
0.7624 Intermediate Similarity NPC278228
0.7615 Intermediate Similarity NPC242957
0.7615 Intermediate Similarity NPC206414
0.7615 Intermediate Similarity NPC306977
0.7615 Intermediate Similarity NPC287055
0.7609 Intermediate Similarity NPC477703
0.7596 Intermediate Similarity NPC160382
0.7573 Intermediate Similarity NPC213730
0.7573 Intermediate Similarity NPC469481
0.7573 Intermediate Similarity NPC294741
0.7568 Intermediate Similarity NPC471616
0.7553 Intermediate Similarity NPC285773
0.7545 Intermediate Similarity NPC196673
0.7544 Intermediate Similarity NPC473136
0.7523 Intermediate Similarity NPC471189
0.7523 Intermediate Similarity NPC158282
0.7521 Intermediate Similarity NPC231767
0.75 Intermediate Similarity NPC208302
0.75 Intermediate Similarity NPC91461
0.75 Intermediate Similarity NPC40258
0.75 Intermediate Similarity NPC7686
0.75 Intermediate Similarity NPC469894
0.7477 Intermediate Similarity NPC215419
0.7476 Intermediate Similarity NPC474308
0.7458 Intermediate Similarity NPC127975
0.7455 Intermediate Similarity NPC286222
0.7451 Intermediate Similarity NPC270654
0.7451 Intermediate Similarity NPC103048
0.7449 Intermediate Similarity NPC199567
0.7449 Intermediate Similarity NPC1793
0.7431 Intermediate Similarity NPC265513
0.7429 Intermediate Similarity NPC255676
0.7429 Intermediate Similarity NPC329556
0.7426 Intermediate Similarity NPC172925
0.7423 Intermediate Similarity NPC322387
0.7423 Intermediate Similarity NPC69057
0.7419 Intermediate Similarity NPC95868
0.7414 Intermediate Similarity NPC31936
0.7407 Intermediate Similarity NPC40178
0.7404 Intermediate Similarity NPC94487
0.7404 Intermediate Similarity NPC225079
0.74 Intermediate Similarity NPC77273
0.7387 Intermediate Similarity NPC172525
0.7387 Intermediate Similarity NPC87069
0.7383 Intermediate Similarity NPC142326
0.7383 Intermediate Similarity NPC477251
0.7383 Intermediate Similarity NPC94751
0.7379 Intermediate Similarity NPC179411
0.7379 Intermediate Similarity NPC260000
0.7374 Intermediate Similarity NPC86670
0.7374 Intermediate Similarity NPC274455
0.7374 Intermediate Similarity NPC70940
0.7368 Intermediate Similarity NPC273758
0.7364 Intermediate Similarity NPC114682
0.7364 Intermediate Similarity NPC474689
0.7353 Intermediate Similarity NPC12695
0.7353 Intermediate Similarity NPC21959
0.7347 Intermediate Similarity NPC329064
0.7345 Intermediate Similarity NPC212891
0.734 Intermediate Similarity NPC273033
0.734 Intermediate Similarity NPC12936
0.7333 Intermediate Similarity NPC474820
0.7333 Intermediate Similarity NPC108218
0.7333 Intermediate Similarity NPC475978
0.7333 Intermediate Similarity NPC25458
0.7328 Intermediate Similarity NPC472981
0.7315 Intermediate Similarity NPC156648
0.7315 Intermediate Similarity NPC47536
0.7315 Intermediate Similarity NPC141523
0.7315 Intermediate Similarity NPC470007
0.7311 Intermediate Similarity NPC79608
0.7308 Intermediate Similarity NPC280869
0.7304 Intermediate Similarity NPC188814
0.7304 Intermediate Similarity NPC195262
0.7303 Intermediate Similarity NPC74458
0.73 Intermediate Similarity NPC86987
0.7297 Intermediate Similarity NPC470253
0.7292 Intermediate Similarity NPC95429
0.729 Intermediate Similarity NPC105899
0.729 Intermediate Similarity NPC233396
0.729 Intermediate Similarity NPC154899
0.7288 Intermediate Similarity NPC285394
0.7283 Intermediate Similarity NPC66655
0.7283 Intermediate Similarity NPC179726
0.7281 Intermediate Similarity NPC471553
0.7281 Intermediate Similarity NPC76308
0.7281 Intermediate Similarity NPC325295
0.7273 Intermediate Similarity NPC95126
0.7273 Intermediate Similarity NPC158673
0.7273 Intermediate Similarity NPC476003
0.7273 Intermediate Similarity NPC475002
0.7273 Intermediate Similarity NPC21162
0.7273 Intermediate Similarity NPC63345
0.7273 Intermediate Similarity NPC116842
0.7264 Intermediate Similarity NPC247976
0.7257 Intermediate Similarity NPC9274
0.7257 Intermediate Similarity NPC210531
0.7257 Intermediate Similarity NPC188010
0.7257 Intermediate Similarity NPC322197
0.7255 Intermediate Similarity NPC151715
0.7248 Intermediate Similarity NPC31274
0.7248 Intermediate Similarity NPC281604
0.7241 Intermediate Similarity NPC183339
0.7241 Intermediate Similarity NPC475804
0.7241 Intermediate Similarity NPC133389
0.7241 Intermediate Similarity NPC474222
0.7241 Intermediate Similarity NPC474223
0.7241 Intermediate Similarity NPC473662
0.7241 Intermediate Similarity NPC216297
0.7241 Intermediate Similarity NPC234337
0.7241 Intermediate Similarity NPC7151
0.7241 Intermediate Similarity NPC475827
0.7238 Intermediate Similarity NPC133809
0.7238 Intermediate Similarity NPC128248
0.7238 Intermediate Similarity NPC136810
0.7234 Intermediate Similarity NPC71664
0.7232 Intermediate Similarity NPC474363
0.7228 Intermediate Similarity NPC128645
0.7222 Intermediate Similarity NPC329705
0.7222 Intermediate Similarity NPC285679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC206764 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
0.85 High Similarity NPD5048 Discontinued
0.84 Intermediate Similarity NPD1237 Approved
0.79 Intermediate Similarity NPD9495 Approved
0.7857 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7789 Intermediate Similarity NPD4793 Discontinued
0.7767 Intermediate Similarity NPD6647 Phase 2
0.7717 Intermediate Similarity NPD226 Approved
0.7692 Intermediate Similarity NPD5909 Discontinued
0.7653 Intermediate Similarity NPD1239 Approved
0.7647 Intermediate Similarity NPD2066 Phase 3
0.7636 Intermediate Similarity NPD2629 Approved
0.7629 Intermediate Similarity NPD5346 Phase 2
0.7629 Intermediate Similarity NPD5347 Phase 2
0.7596 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD9491 Approved
0.7525 Intermediate Similarity NPD1989 Approved
0.7525 Intermediate Similarity NPD5206 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1932 Approved
0.7476 Intermediate Similarity NPD7798 Approved
0.7449 Intermediate Similarity NPD800 Approved
0.7431 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1930 Approved
0.7429 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1929 Approved
0.7426 Intermediate Similarity NPD1693 Approved
0.7426 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD225 Approved
0.7391 Intermediate Similarity NPD227 Approved
0.7387 Intermediate Similarity NPD6010 Discontinued
0.7374 Intermediate Similarity NPD3673 Approved
0.7374 Intermediate Similarity NPD1090 Approved
0.7374 Intermediate Similarity NPD1086 Approved
0.7374 Intermediate Similarity NPD3672 Approved
0.7374 Intermediate Similarity NPD1089 Approved
0.734 Intermediate Similarity NPD942 Approved
0.7288 Intermediate Similarity NPD5159 Phase 2
0.7288 Intermediate Similarity NPD5157 Phase 1
0.7288 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD9294 Approved
0.7282 Intermediate Similarity NPD1564 Approved
0.7282 Intermediate Similarity NPD1565 Approved
0.7282 Intermediate Similarity NPD1566 Phase 3
0.7264 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5765 Approved
0.7257 Intermediate Similarity NPD3317 Approved
0.7228 Intermediate Similarity NPD1088 Approved
0.7222 Intermediate Similarity NPD467 Phase 1
0.7184 Intermediate Similarity NPD2859 Approved
0.7184 Intermediate Similarity NPD2860 Approved
0.7128 Intermediate Similarity NPD9490 Approved
0.7091 Intermediate Similarity NPD2329 Discontinued
0.7091 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2934 Approved
0.7087 Intermediate Similarity NPD2933 Approved
0.7075 Intermediate Similarity NPD3135 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1087 Approved
0.7064 Intermediate Similarity NPD6685 Approved
0.7034 Intermediate Similarity NPD4135 Approved
0.7034 Intermediate Similarity NPD4106 Approved
0.7034 Intermediate Similarity NPD4136 Approved
0.703 Intermediate Similarity NPD9258 Approved
0.703 Intermediate Similarity NPD9256 Approved
0.7018 Intermediate Similarity NPD5951 Approved
0.701 Intermediate Similarity NPD3971 Phase 1
0.7 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.699 Remote Similarity NPD1563 Approved
0.699 Remote Similarity NPD1202 Approved
0.6981 Remote Similarity NPD3020 Approved
0.6981 Remote Similarity NPD1238 Approved
0.6981 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6967 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6967 Remote Similarity NPD6085 Phase 2
0.6949 Remote Similarity NPD5305 Approved
0.6949 Remote Similarity NPD5306 Approved
0.693 Remote Similarity NPD2650 Approved
0.693 Remote Similarity NPD2652 Approved
0.6887 Remote Similarity NPD5926 Approved
0.6875 Remote Similarity NPD2067 Discontinued
0.687 Remote Similarity NPD1711 Phase 2
0.6864 Remote Similarity NPD4105 Approved
0.6864 Remote Similarity NPD4102 Approved
0.6852 Remote Similarity NPD4719 Phase 2
0.6842 Remote Similarity NPD6858 Approved
0.6842 Remote Similarity NPD7094 Approved
0.6833 Remote Similarity NPD4217 Approved
0.6833 Remote Similarity NPD3131 Approved
0.6833 Remote Similarity NPD4218 Approved
0.6833 Remote Similarity NPD1201 Approved
0.6833 Remote Similarity NPD4216 Approved
0.6833 Remote Similarity NPD4806 Approved
0.6833 Remote Similarity NPD4215 Approved
0.6833 Remote Similarity NPD2609 Approved
0.6833 Remote Similarity NPD4807 Approved
0.6833 Remote Similarity NPD2608 Approved
0.6833 Remote Similarity NPD2612 Approved
0.6833 Remote Similarity NPD2610 Approved
0.6833 Remote Similarity NPD3132 Approved
0.6833 Remote Similarity NPD2611 Approved
0.6829 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6827 Remote Similarity NPD1066 Discontinued
0.6814 Remote Similarity NPD4025 Clinical (unspecified phase)
0.6814 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6807 Remote Similarity NPD3019 Approved
0.6807 Remote Similarity NPD2932 Approved
0.6796 Remote Similarity NPD7609 Phase 3
0.6783 Remote Similarity NPD4869 Clinical (unspecified phase)
0.678 Remote Similarity NPD1894 Discontinued
0.6777 Remote Similarity NPD4878 Approved
0.6774 Remote Similarity NPD5204 Approved
0.6762 Remote Similarity NPD4094 Approved
0.6754 Remote Similarity NPD6912 Phase 3
0.6731 Remote Similarity NPD1508 Approved
0.6731 Remote Similarity NPD7631 Approved
0.6729 Remote Similarity NPD253 Approved
0.672 Remote Similarity NPD5203 Approved
0.672 Remote Similarity NPD4620 Approved
0.672 Remote Similarity NPD4617 Approved
0.672 Remote Similarity NPD5201 Approved
0.6702 Remote Similarity NPD9716 Approved
0.67 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6694 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7715 Approved
0.6693 Remote Similarity NPD7714 Approved
0.6667 Remote Similarity NPD3643 Approved
0.6667 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7008 Discontinued
0.6667 Remote Similarity NPD3644 Approved
0.6667 Remote Similarity NPD3719 Approved
0.6667 Remote Similarity NPD3718 Approved
0.6667 Remote Similarity NPD3642 Approved
0.6636 Remote Similarity NPD4656 Approved
0.6636 Remote Similarity NPD9566 Approved
0.6636 Remote Similarity NPD4658 Approved
0.6636 Remote Similarity NPD4657 Approved
0.6636 Remote Similarity NPD4655 Approved
0.6636 Remote Similarity NPD3495 Discontinued
0.6634 Remote Similarity NPD9259 Approved
0.6634 Remote Similarity NPD9257 Approved
0.6613 Remote Similarity NPD2625 Approved
0.6613 Remote Similarity NPD2626 Approved
0.6613 Remote Similarity NPD2160 Approved
0.6613 Remote Similarity NPD1470 Approved
0.6613 Remote Similarity NPD2627 Approved
0.6613 Remote Similarity NPD2159 Approved
0.6613 Remote Similarity NPD2628 Approved
0.661 Remote Similarity NPD4576 Approved
0.661 Remote Similarity NPD405 Clinical (unspecified phase)
0.661 Remote Similarity NPD4574 Approved
0.6606 Remote Similarity NPD2549 Approved
0.6606 Remote Similarity NPD2550 Approved
0.6606 Remote Similarity NPD2558 Approved
0.6606 Remote Similarity NPD2553 Approved
0.6606 Remote Similarity NPD2555 Approved
0.6606 Remote Similarity NPD2552 Approved
0.6604 Remote Similarity NPD4814 Discontinued
0.6587 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5981 Approved
0.6579 Remote Similarity NPD5278 Discontinued
0.6579 Remote Similarity NPD1317 Discontinued
0.6579 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6574 Remote Similarity NPD9609 Approved
0.6574 Remote Similarity NPD9612 Approved
0.6574 Remote Similarity NPD9611 Approved
0.6569 Remote Similarity NPD650 Approved
0.6565 Remote Similarity NPD7033 Discontinued
0.656 Remote Similarity NPD2798 Approved
0.656 Remote Similarity NPD4980 Approved
0.6555 Remote Similarity NPD6065 Approved
0.6555 Remote Similarity NPD7610 Discontinued
0.6549 Remote Similarity NPD9267 Approved
0.6549 Remote Similarity NPD9264 Approved
0.6549 Remote Similarity NPD6406 Approved
0.6549 Remote Similarity NPD9263 Approved
0.6545 Remote Similarity NPD4818 Approved
0.6545 Remote Similarity NPD4189 Approved
0.6545 Remote Similarity NPD854 Approved
0.6545 Remote Similarity NPD4817 Approved
0.6545 Remote Similarity NPD4188 Approved
0.6545 Remote Similarity NPD855 Approved
0.6542 Remote Similarity NPD1843 Approved
0.6538 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6538 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6525 Remote Similarity NPD4198 Discontinued
0.6518 Remote Similarity NPD1018 Approved
0.6512 Remote Similarity NPD5120 Approved
0.6512 Remote Similarity NPD6310 Approved
0.6512 Remote Similarity NPD5119 Approved
0.6512 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6512 Remote Similarity NPD6309 Approved
0.6512 Remote Similarity NPD6311 Approved
0.6512 Remote Similarity NPD5121 Approved
0.6509 Remote Similarity NPD845 Approved
0.6504 Remote Similarity NPD5108 Clinical (unspecified phase)
0.65 Remote Similarity NPD7009 Phase 2
0.6496 Remote Similarity NPD3598 Phase 3
0.6491 Remote Similarity NPD2182 Approved
0.6491 Remote Similarity NPD74 Approved
0.6491 Remote Similarity NPD9266 Approved

Structure

External Identifiers

PubChem CID   44559751
ChEMBL   CHEMBL470885
ZINC  

Physicochemical Properties

Molecular Weight:  280.15
ALogP:  -0.1747
MLogP:  3.33
XLogP:  7.445
# Rotatable Bonds:  8
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  21

Download Data

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Structure MOL file  
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Biological Activities  
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