Natural Product: NPC478238

Natural Product ID:  NPC478238
Common Name:   8-prenylmilldrone
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H24O7
Standard InCHIKey:  CNYQLTUBULQRRO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H24O7/c1-13(2)6-7-14-23-16(9-21(27-4)24(14)28-5)22(25)17(11-29-23)15-8-19-20(31-12-30-19)10-18(15)26-3/h6,8-11H,7,12H2,1-5H3
Canonical SMILES:  COc1cc2c(=O)c(coc2c(c1OC)CC=C(C)C)c1cc2OCOc2cc1OC
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
NPO33696 Millettia oblata ssp. teitensis Species Fabaceae Eukaryota leaves Ngangao Forest, Taita Hill, Taita County, Kenya 2014-JUL PMID[28665590]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 235 µM 28665590

  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 NPC478238 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
0.9797 High Similarity NPC478213
0.9797 High Similarity NPC57211
0.9796 High Similarity NPC279061
0.973 High Similarity NPC52623
0.973 High Similarity NPC153008
0.973 High Similarity NPC148497
0.9481 High Similarity NPC18284
0.9481 High Similarity NPC273021
0.9474 High Similarity NPC167595
0.9412 High Similarity NPC215375
0.9412 High Similarity NPC62518
0.9346 High Similarity NPC258644
0.9346 High Similarity NPC310206
0.9338 High Similarity NPC68882
0.9338 High Similarity NPC292460
0.9324 High Similarity NPC216314
0.9324 High Similarity NPC120924
0.9324 High Similarity NPC195919
0.932 High Similarity NPC182842
0.929 High Similarity NPC34376
0.929 High Similarity NPC295009
0.929 High Similarity NPC260640
0.9286 High Similarity NPC113055
0.9281 High Similarity NPC155063
0.9276 High Similarity NPC244371
0.9257 High Similarity NPC296575
0.9257 High Similarity NPC224687
0.9252 High Similarity NPC476054
0.9226 High Similarity NPC225624
0.9226 High Similarity NPC285973
0.9221 High Similarity NPC19097
0.9161 High Similarity NPC257914
0.9161 High Similarity NPC238405
0.9161 High Similarity NPC104459
0.9108 High Similarity NPC478199
0.9108 High Similarity NPC302741
0.9091 High Similarity NPC130589
0.9091 High Similarity NPC134287
0.9091 High Similarity NPC284353
0.9085 High Similarity NPC104728
0.9085 High Similarity NPC35544
0.9079 High Similarity NPC239363
0.9068 High Similarity NPC475825
0.9068 High Similarity NPC223375
0.9054 High Similarity NPC185607
0.9045 High Similarity NPC94155
0.9026 High Similarity NPC128961
0.9026 High Similarity NPC279930
0.9026 High Similarity NPC472408
0.9026 High Similarity NPC186507
0.902 High Similarity NPC262623
0.9012 High Similarity NPC72455
0.9007 High Similarity NPC205522
0.8987 High Similarity NPC125991
0.8987 High Similarity NPC469575
0.8987 High Similarity NPC81679
0.8986 High Similarity NPC58229
0.8981 High Similarity NPC131557
0.8981 High Similarity NPC298093
0.8974 High Similarity NPC78103
0.8968 High Similarity NPC39184
0.8961 High Similarity NPC166201
0.8954 High Similarity NPC234152
0.8954 High Similarity NPC156953
0.8947 High Similarity NPC63256
0.8947 High Similarity NPC10304
0.8947 High Similarity NPC476058
0.8944 High Similarity NPC471287
0.8944 High Similarity NPC211309
0.8944 High Similarity NPC41853
0.894 High Similarity NPC302408
0.894 High Similarity NPC106461
0.894 High Similarity NPC110639
0.894 High Similarity NPC40818
0.894 High Similarity NPC215932
0.894 High Similarity NPC283002
0.894 High Similarity NPC14958
0.8938 High Similarity NPC113093
0.8931 High Similarity NPC65846
0.891 High Similarity NPC180340
0.891 High Similarity NPC301897
0.8903 High Similarity NPC280937
0.8903 High Similarity NPC250557
0.8903 High Similarity NPC124714
0.8902 High Similarity NPC156635
0.8896 High Similarity NPC19980
0.8896 High Similarity NPC45291
0.8896 High Similarity NPC220577
0.8889 High Similarity NPC238366
0.8882 High Similarity NPC135345
0.8882 High Similarity NPC85233
0.8882 High Similarity NPC167479
0.8874 High Similarity NPC136278
0.8874 High Similarity NPC165512
0.8874 High Similarity NPC471590
0.8854 High Similarity NPC474990
0.8854 High Similarity NPC476981
0.8848 High Similarity NPC67302
0.8841 High Similarity NPC66804
0.8841 High Similarity NPC472607
0.8839 High Similarity NPC209487
0.8839 High Similarity NPC216769
0.8839 High Similarity NPC100263
0.8839 High Similarity NPC269451
0.8839 High Similarity NPC121522
0.8839 High Similarity NPC40033
0.8839 High Similarity NPC131266
0.8839 High Similarity NPC35763
0.8839 High Similarity NPC181209
0.8839 High Similarity NPC38469
0.8839 High Similarity NPC100971
0.8839 High Similarity NPC245382
0.8839 High Similarity NPC291802
0.8831 High Similarity NPC189270
0.8831 High Similarity NPC5840
0.8824 High Similarity NPC476342
0.8816 High Similarity NPC231013
0.8812 High Similarity NPC470178
0.8808 High Similarity NPC23955
0.8808 High Similarity NPC113089
0.8805 High Similarity NPC165549
0.8805 High Similarity NPC162668
0.88 High Similarity NPC29536
0.8797 High Similarity NPC125713
0.8784 High Similarity NPC44573
0.878 High Similarity NPC62640
0.8774 High Similarity NPC256406
0.8774 High Similarity NPC288316
0.8774 High Similarity NPC474663
0.8773 High Similarity NPC105511
0.8773 High Similarity NPC224462
0.8766 High Similarity NPC69752
0.8766 High Similarity NPC181250
0.8765 High Similarity NPC76482
0.8765 High Similarity NPC471288
0.8758 High Similarity NPC187923
0.8758 High Similarity NPC93034
0.8758 High Similarity NPC474999
0.8758 High Similarity NPC119660
0.8758 High Similarity NPC470773
0.8742 High Similarity NPC476980
0.8742 High Similarity NPC9966
0.8742 High Similarity NPC269906
0.8742 High Similarity NPC70853
0.8734 High Similarity NPC262286
0.8734 High Similarity NPC36852
0.8726 High Similarity NPC18954
0.872 High Similarity NPC205076
0.872 High Similarity NPC475155
0.872 High Similarity NPC48773
0.872 High Similarity NPC307518
0.8718 High Similarity NPC477962
0.8718 High Similarity NPC477960
0.8718 High Similarity NPC477961
0.871 High Similarity NPC10467
0.871 High Similarity NPC259058
0.871 High Similarity NPC216917
0.871 High Similarity NPC201547
0.871 High Similarity NPC29056
0.8707 High Similarity NPC143649
0.8704 High Similarity NPC173292
0.8704 High Similarity NPC67450
0.8704 High Similarity NPC210460
0.8704 High Similarity NPC155264
0.8704 High Similarity NPC193881
0.8704 High Similarity NPC128293
0.8701 High Similarity NPC238279
0.8701 High Similarity NPC203077
0.8701 High Similarity NPC166036
0.8696 High Similarity NPC273959
0.8693 High Similarity NPC88345
0.8693 High Similarity NPC153620
0.8693 High Similarity NPC12377
0.8693 High Similarity NPC24257
0.869 High Similarity NPC473883
0.8688 High Similarity NPC239890
0.8688 High Similarity NPC258331
0.8688 High Similarity NPC209411
0.8684 High Similarity NPC293201
0.8679 High Similarity NPC325122
0.8675 High Similarity NPC214919
0.8675 High Similarity NPC124467
0.8675 High Similarity NPC257714
0.8671 High Similarity NPC138243
0.8662 High Similarity NPC472915
0.8662 High Similarity NPC471981
0.8659 High Similarity NPC44558
0.8659 High Similarity NPC212748
0.8654 High Similarity NPC198615
0.8654 High Similarity NPC208043
0.8654 High Similarity NPC308451
0.8654 High Similarity NPC226973
0.8654 High Similarity NPC104353
0.865 High Similarity NPC471180
0.865 High Similarity NPC42892
0.8645 High Similarity NPC333691
0.8645 High Similarity NPC264550
0.8645 High Similarity NPC328119
0.8645 High Similarity NPC40290
0.8645 High Similarity NPC102003

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478238 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
0.8981 High Similarity NPD5494 Approved
0.8765 High Similarity NPD3818 Discontinued
0.8758 High Similarity NPD6980 Clinical (unspecified phase)
0.8571 High Similarity NPD1247 Approved
0.8544 High Similarity NPD2801 Approved
0.8375 Intermediate Similarity NPD3817 Phase 2
0.8333 Intermediate Similarity NPD919 Approved
0.8323 Intermediate Similarity NPD3882 Suspended
0.8313 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD7054 Approved
0.825 Intermediate Similarity NPD1934 Approved
0.8224 Intermediate Similarity NPD2796 Approved
0.8214 Intermediate Similarity NPD7074 Phase 3
0.8214 Intermediate Similarity NPD7472 Approved
0.8182 Intermediate Similarity NPD6232 Discontinued
0.816 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD7473 Discontinued
0.8125 Intermediate Similarity NPD4380 Phase 2
0.807 Intermediate Similarity NPD7808 Phase 3
0.8059 Intermediate Similarity NPD6797 Phase 2
0.805 Intermediate Similarity NPD920 Approved
0.8039 Intermediate Similarity NPD1510 Phase 2
0.8038 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD37 Approved
0.8024 Intermediate Similarity NPD3926 Phase 2
0.8012 Intermediate Similarity NPD7251 Discontinued
0.8012 Intermediate Similarity NPD6559 Discontinued
0.7975 Intermediate Similarity NPD7819 Suspended
0.7975 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD1511 Approved
0.7949 Intermediate Similarity NPD1243 Approved
0.7941 Intermediate Similarity NPD5844 Phase 1
0.7941 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD6801 Discontinued
0.7879 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD4967 Phase 2
0.7879 Intermediate Similarity NPD4966 Approved
0.7879 Intermediate Similarity NPD4965 Approved
0.7875 Intermediate Similarity NPD1512 Approved
0.7871 Intermediate Similarity NPD2935 Discontinued
0.787 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD6166 Phase 2
0.787 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD6799 Approved
0.7862 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD7075 Discontinued
0.7818 Intermediate Similarity NPD5402 Approved
0.7812 Intermediate Similarity NPD2533 Approved
0.7812 Intermediate Similarity NPD2532 Approved
0.7812 Intermediate Similarity NPD2534 Approved
0.7799 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD6234 Discontinued
0.7778 Intermediate Similarity NPD1240 Approved
0.7744 Intermediate Similarity NPD7411 Suspended
0.7727 Intermediate Similarity NPD1933 Approved
0.7702 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD7199 Phase 2
0.7683 Intermediate Similarity NPD6599 Discontinued
0.7677 Intermediate Similarity NPD1607 Approved
0.7673 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD1549 Phase 2
0.7611 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD943 Approved
0.7547 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5242 Approved
0.75 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2800 Approved
0.75 Intermediate Similarity NPD2798 Approved
0.7485 Intermediate Similarity NPD6959 Discontinued
0.7471 Intermediate Similarity NPD7228 Approved
0.7468 Intermediate Similarity NPD3748 Approved
0.7443 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD1465 Phase 2
0.741 Intermediate Similarity NPD7458 Discontinued
0.7396 Intermediate Similarity NPD5353 Approved
0.7394 Intermediate Similarity NPD5403 Approved
0.7391 Intermediate Similarity NPD2654 Approved
0.7391 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD230 Phase 1
0.7378 Intermediate Similarity NPD5401 Approved
0.7358 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7768 Phase 2
0.7349 Intermediate Similarity NPD1653 Approved
0.734 Intermediate Similarity NPD5005 Approved
0.734 Intermediate Similarity NPD5006 Approved
0.7326 Intermediate Similarity NPD6776 Approved
0.7326 Intermediate Similarity NPD6777 Approved
0.7326 Intermediate Similarity NPD6780 Approved
0.7326 Intermediate Similarity NPD6781 Approved
0.7326 Intermediate Similarity NPD6778 Approved
0.7326 Intermediate Similarity NPD6782 Approved
0.7326 Intermediate Similarity NPD6779 Approved
0.7321 Intermediate Similarity NPD6386 Approved
0.7321 Intermediate Similarity NPD6385 Approved
0.731 Intermediate Similarity NPD3749 Approved
0.7308 Intermediate Similarity NPD2313 Discontinued
0.7303 Intermediate Similarity NPD7685 Pre-registration
0.7303 Intermediate Similarity NPD7240 Approved
0.7285 Intermediate Similarity NPD3705 Approved
0.7278 Intermediate Similarity NPD447 Suspended
0.7273 Intermediate Similarity NPD3751 Discontinued
0.725 Intermediate Similarity NPD2799 Discontinued
0.7241 Intermediate Similarity NPD5711 Approved
0.7241 Intermediate Similarity NPD3787 Discontinued
0.7241 Intermediate Similarity NPD5710 Approved
0.7239 Intermediate Similarity NPD3750 Approved
0.7233 Intermediate Similarity NPD6651 Approved
0.7219 Intermediate Similarity NPD4420 Approved
0.7211 Intermediate Similarity NPD7696 Phase 3
0.7211 Intermediate Similarity NPD7698 Approved
0.7211 Intermediate Similarity NPD7435 Discontinued
0.7211 Intermediate Similarity NPD7697 Approved
0.7202 Intermediate Similarity NPD8151 Discontinued
0.7202 Intermediate Similarity NPD3226 Approved
0.7197 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD5536 Phase 2
0.7179 Intermediate Similarity NPD6832 Phase 2
0.7173 Intermediate Similarity NPD7871 Phase 2
0.7173 Intermediate Similarity NPD7870 Phase 2
0.717 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD2346 Discontinued
0.7159 Intermediate Similarity NPD2403 Approved
0.7151 Intermediate Similarity NPD5953 Discontinued
0.7143 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7286 Phase 2
0.7134 Intermediate Similarity NPD3027 Phase 3
0.7127 Intermediate Similarity NPD8313 Approved
0.7127 Intermediate Similarity NPD8312 Approved
0.7108 Intermediate Similarity NPD7390 Discontinued
0.7099 Intermediate Similarity NPD1551 Phase 2
0.7068 Intermediate Similarity NPD6823 Phase 2
0.7062 Intermediate Similarity NPD7701 Phase 2
0.7059 Intermediate Similarity NPD7028 Phase 2
0.7059 Intermediate Similarity NPD6535 Approved
0.7059 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6534 Approved
0.7055 Intermediate Similarity NPD2344 Approved
0.7045 Intermediate Similarity NPD7229 Phase 3
0.7037 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD4628 Phase 3
0.7013 Intermediate Similarity NPD3972 Approved
0.7011 Intermediate Similarity NPD8434 Phase 2
0.701 Intermediate Similarity NPD7584 Approved
0.7006 Intermediate Similarity NPD9494 Approved
0.7006 Intermediate Similarity NPD3018 Phase 2
0.6995 Remote Similarity NPD7090 Clinical (unspecified phase)
0.699 Remote Similarity NPD7875 Clinical (unspecified phase)
0.699 Remote Similarity NPD7874 Approved
0.6988 Remote Similarity NPD6190 Approved
0.6983 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7801 Approved
0.6951 Remote Similarity NPD1471 Phase 3
0.6947 Remote Similarity NPD7700 Phase 2
0.6947 Remote Similarity NPD7699 Phase 2
0.6905 Remote Similarity NPD4357 Discontinued
0.6903 Remote Similarity NPD2981 Phase 2
0.6899 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5978 Approved
0.6897 Remote Similarity NPD5977 Approved
0.6894 Remote Similarity NPD1613 Approved
0.6894 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6886 Remote Similarity NPD2309 Approved
0.6879 Remote Similarity NPD6844 Discontinued
0.6872 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7783 Phase 2
0.6869 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6863 Remote Similarity NPD9268 Approved
0.6859 Remote Similarity NPD2982 Phase 2
0.6859 Remote Similarity NPD2983 Phase 2
0.6859 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6855 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6848 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6839 Remote Similarity NPD8455 Phase 2
0.6829 Remote Similarity NPD7033 Discontinued
0.6828 Remote Similarity NPD8150 Discontinued
0.6826 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6825 Remote Similarity NPD6213 Phase 3
0.6825 Remote Similarity NPD6212 Phase 3
0.6825 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6821 Remote Similarity NPD6873 Phase 2
0.6821 Remote Similarity NPD5890 Approved
0.6821 Remote Similarity NPD5889 Approved
0.6815 Remote Similarity NPD1876 Approved
0.6806 Remote Similarity NPD8090 Clinical (unspecified phase)
0.68 Remote Similarity NPD5283 Phase 1
0.6795 Remote Similarity NPD9269 Phase 2
0.679 Remote Similarity NPD4307 Phase 2
0.6788 Remote Similarity NPD6099 Approved
0.6788 Remote Similarity NPD6100 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  424.15
ALogP:  0.7526
MLogP:  3.33
XLogP:  3.578
# Rotatable Bonds:  11
Polar Surface Area:  72.45
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  31

Download Data

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