Natural Product: NPC474670

Natural Product ID:  NPC474670
Common Name:   4-Acetoxy-3-Geranylgeranyl-1,2-Dimethoxybenzene
IUPAC Name:   [3,4-dimethoxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
Synonyms:  
Molecular Formula:   C30H44O4
Standard InCHIKey:  ZEMWEUKQWJNNOA-WCGUESEVSA-N
Standard InCHI:  InChI=1S/C30H44O4/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-19-27-28(34-26(6)31)20-21-29(32-7)30(27)33-8/h12,14,16,18,20-21H,9-11,13,15,17,19H2,1-8H3/b23-14+,24-16+,25-18+
Canonical SMILES:  COc1ccc(c(c1OC)C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)OC(=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
NPO27847 Suillus granulatus Species Suillaceae Eukaryota PMID[1294697]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 5.8 ug/ml 22831798
NPT168 Cell Line P388 Mus musculus IC50 = 3.7 ug/ml PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens IC50 = 7.5 ug/ml 20185316

  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 NPC474670 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
0.9835 High Similarity NPC474821
0.9752 High Similarity NPC474632
0.9593 High Similarity NPC474636
0.9593 High Similarity NPC474616
0.944 High Similarity NPC474617
0.937 High Similarity NPC474810
0.9297 High Similarity NPC474600
0.9291 High Similarity NPC319969
0.9231 High Similarity NPC474530
0.9231 High Similarity NPC474540
0.9231 High Similarity NPC474521
0.9219 High Similarity NPC36437
0.9219 High Similarity NPC241341
0.9219 High Similarity NPC233018
0.9213 High Similarity NPC147317
0.9213 High Similarity NPC142530
0.9167 High Similarity NPC474612
0.9154 High Similarity NPC286843
0.9141 High Similarity NPC137669
0.9134 High Similarity NPC244799
0.9134 High Similarity NPC240722
0.9134 High Similarity NPC476399
0.9127 High Similarity NPC474651
0.9127 High Similarity NPC474623
0.9084 High Similarity NPC476171
0.9077 High Similarity NPC234865
0.9077 High Similarity NPC252095
0.9055 High Similarity NPC123127
0.9055 High Similarity NPC27239
0.8992 High Similarity NPC474635
0.8984 High Similarity NPC79184
0.8984 High Similarity NPC307042
0.8984 High Similarity NPC19242
0.8976 High Similarity NPC210674
0.8934 High Similarity NPC308217
0.8931 High Similarity NPC311430
0.8931 High Similarity NPC224941
0.8926 High Similarity NPC471498
0.8926 High Similarity NPC471503
0.8923 High Similarity NPC472522
0.8872 High Similarity NPC164148
0.8872 High Similarity NPC43500
0.8872 High Similarity NPC270256
0.8862 High Similarity NPC473290
0.8862 High Similarity NPC471504
0.8855 High Similarity NPC309953
0.8837 High Similarity NPC220935
0.8819 High Similarity NPC127604
0.88 High Similarity NPC194626
0.8797 High Similarity NPC105493
0.879 High Similarity NPC267064
0.8788 High Similarity NPC73071
0.877 High Similarity NPC304208
0.877 High Similarity NPC52464
0.876 High Similarity NPC153547
0.875 High Similarity NPC194841
0.8741 High Similarity NPC300611
0.8722 High Similarity NPC167517
0.8712 High Similarity NPC309744
0.8676 High Similarity NPC469564
0.8672 High Similarity NPC112596
0.8657 High Similarity NPC20511
0.8657 High Similarity NPC20796
0.8657 High Similarity NPC76336
0.8657 High Similarity NPC95162
0.8657 High Similarity NPC52086
0.8657 High Similarity NPC148835
0.8657 High Similarity NPC139548
0.8651 High Similarity NPC288238
0.8647 High Similarity NPC240915
0.864 High Similarity NPC472596
0.8613 High Similarity NPC34245
0.8613 High Similarity NPC256555
0.8613 High Similarity NPC110067
0.8613 High Similarity NPC91492
0.8613 High Similarity NPC138212
0.8613 High Similarity NPC7439
0.8593 High Similarity NPC13067
0.8583 High Similarity NPC279379
0.8582 High Similarity NPC82271
0.8582 High Similarity NPC126682
0.8582 High Similarity NPC471719
0.8571 High Similarity NPC7163
0.8571 High Similarity NPC147030
0.8561 High Similarity NPC475896
0.8561 High Similarity NPC475872
0.8561 High Similarity NPC205361
0.856 High Similarity NPC222175
0.8538 High Similarity NPC31707
0.8516 High Similarity NPC283170
0.8516 High Similarity NPC191768
0.8516 High Similarity NPC92869
0.8507 High Similarity NPC472521
0.8504 High Similarity NPC246967
0.8504 High Similarity NPC474864
0.8504 High Similarity NPC261661
0.8504 High Similarity NPC270326
0.85 High Similarity NPC15577
0.8496 Intermediate Similarity NPC269528
0.8496 Intermediate Similarity NPC277021
0.8489 Intermediate Similarity NPC125617
0.8489 Intermediate Similarity NPC292256
0.8485 Intermediate Similarity NPC82503
0.8462 Intermediate Similarity NPC216836
0.8462 Intermediate Similarity NPC202904
0.8462 Intermediate Similarity NPC189248
0.845 Intermediate Similarity NPC64391
0.8443 Intermediate Similarity NPC204120
0.8443 Intermediate Similarity NPC303522
0.8438 Intermediate Similarity NPC108545
0.8433 Intermediate Similarity NPC474478
0.8433 Intermediate Similarity NPC92830
0.8425 Intermediate Similarity NPC285289
0.8421 Intermediate Similarity NPC123954
0.8421 Intermediate Similarity NPC245120
0.8421 Intermediate Similarity NPC5423
0.8409 Intermediate Similarity NPC470624
0.8409 Intermediate Similarity NPC214860
0.8409 Intermediate Similarity NPC237169
0.8409 Intermediate Similarity NPC229231
0.8397 Intermediate Similarity NPC266691
0.8397 Intermediate Similarity NPC19694
0.8397 Intermediate Similarity NPC63179
0.8385 Intermediate Similarity NPC101894
0.8385 Intermediate Similarity NPC244364
0.8385 Intermediate Similarity NPC476006
0.8382 Intermediate Similarity NPC865
0.838 Intermediate Similarity NPC30688
0.838 Intermediate Similarity NPC176903
0.8372 Intermediate Similarity NPC183446
0.8372 Intermediate Similarity NPC140521
0.837 Intermediate Similarity NPC255147
0.837 Intermediate Similarity NPC472337
0.837 Intermediate Similarity NPC201357
0.837 Intermediate Similarity NPC281521
0.837 Intermediate Similarity NPC195022
0.837 Intermediate Similarity NPC134968
0.8369 Intermediate Similarity NPC178129
0.8369 Intermediate Similarity NPC170239
0.8369 Intermediate Similarity NPC275125
0.8369 Intermediate Similarity NPC97937
0.8359 Intermediate Similarity NPC264885
0.8359 Intermediate Similarity NPC135414
0.8359 Intermediate Similarity NPC211231
0.8358 Intermediate Similarity NPC26673
0.8358 Intermediate Similarity NPC94236
0.8358 Intermediate Similarity NPC37196
0.8346 Intermediate Similarity NPC199023
0.8346 Intermediate Similarity NPC474238
0.8333 Intermediate Similarity NPC472520
0.8333 Intermediate Similarity NPC254625
0.8333 Intermediate Similarity NPC475961
0.8333 Intermediate Similarity NPC10225
0.8333 Intermediate Similarity NPC150809
0.8333 Intermediate Similarity NPC45824
0.8333 Intermediate Similarity NPC474227
0.8333 Intermediate Similarity NPC58164
0.8333 Intermediate Similarity NPC158477
0.8333 Intermediate Similarity NPC279851
0.8322 Intermediate Similarity NPC294522
0.8322 Intermediate Similarity NPC120426
0.8322 Intermediate Similarity NPC21184
0.8322 Intermediate Similarity NPC205727
0.8321 Intermediate Similarity NPC19869
0.831 Intermediate Similarity NPC139839
0.831 Intermediate Similarity NPC96294
0.8309 Intermediate Similarity NPC104167
0.8309 Intermediate Similarity NPC476698
0.8309 Intermediate Similarity NPC472334
0.8309 Intermediate Similarity NPC173660
0.8309 Intermediate Similarity NPC143895
0.8309 Intermediate Similarity NPC472336
0.8308 Intermediate Similarity NPC173608
0.8308 Intermediate Similarity NPC249836
0.8308 Intermediate Similarity NPC27352
0.8296 Intermediate Similarity NPC111635
0.8284 Intermediate Similarity NPC161203
0.8284 Intermediate Similarity NPC137949
0.8281 Intermediate Similarity NPC310373
0.8281 Intermediate Similarity NPC75713
0.8281 Intermediate Similarity NPC477886
0.8279 Intermediate Similarity NPC203924
0.8279 Intermediate Similarity NPC245552
0.8273 Intermediate Similarity NPC472332
0.8273 Intermediate Similarity NPC472335
0.8271 Intermediate Similarity NPC311680
0.8271 Intermediate Similarity NPC224157
0.8271 Intermediate Similarity NPC299221
0.8271 Intermediate Similarity NPC234488
0.8271 Intermediate Similarity NPC192687
0.8271 Intermediate Similarity NPC51840
0.8254 Intermediate Similarity NPC96705
0.8254 Intermediate Similarity NPC159916
0.8252 Intermediate Similarity NPC113790
0.8248 Intermediate Similarity NPC107551
0.8248 Intermediate Similarity NPC176051
0.8248 Intermediate Similarity NPC276490
0.8248 Intermediate Similarity NPC103976
0.8248 Intermediate Similarity NPC474282
0.8248 Intermediate Similarity NPC474886

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474670 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
0.8239 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD3496 Discontinued
0.8 Intermediate Similarity NPD1653 Approved
0.791 Intermediate Similarity NPD3018 Phase 2
0.7868 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD422 Phase 1
0.7852 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD2981 Phase 2
0.7794 Intermediate Similarity NPD3027 Phase 3
0.7778 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7754 Intermediate Similarity NPD1613 Approved
0.7754 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD2983 Phase 2
0.7744 Intermediate Similarity NPD2982 Phase 2
0.7727 Intermediate Similarity NPD3705 Approved
0.7727 Intermediate Similarity NPD1611 Approved
0.7698 Intermediate Similarity NPD447 Suspended
0.7682 Intermediate Similarity NPD3817 Phase 2
0.7616 Intermediate Similarity NPD2801 Approved
0.7597 Intermediate Similarity NPD6671 Approved
0.7591 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD5283 Phase 1
0.7576 Intermediate Similarity NPD1778 Approved
0.7569 Intermediate Similarity NPD1652 Phase 2
0.7518 Intermediate Similarity NPD2237 Approved
0.75 Intermediate Similarity NPD5535 Approved
0.7484 Intermediate Similarity NPD5844 Phase 1
0.7481 Intermediate Similarity NPD4749 Approved
0.7397 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD2653 Approved
0.7383 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD1358 Approved
0.7372 Intermediate Similarity NPD5677 Discontinued
0.7372 Intermediate Similarity NPD5494 Approved
0.7368 Intermediate Similarity NPD5585 Approved
0.7368 Intermediate Similarity NPD5691 Approved
0.7361 Intermediate Similarity NPD3539 Phase 1
0.736 Intermediate Similarity NPD9697 Approved
0.7357 Intermediate Similarity NPD1296 Phase 2
0.7357 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD7644 Approved
0.7348 Intermediate Similarity NPD5536 Phase 2
0.7338 Intermediate Similarity NPD5402 Approved
0.7338 Intermediate Similarity NPD6832 Phase 2
0.7338 Intermediate Similarity NPD4908 Phase 1
0.7333 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1091 Approved
0.7325 Intermediate Similarity NPD7199 Phase 2
0.7324 Intermediate Similarity NPD5124 Phase 1
0.7324 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD1933 Approved
0.732 Intermediate Similarity NPD1934 Approved
0.7313 Intermediate Similarity NPD17 Approved
0.731 Intermediate Similarity NPD5762 Approved
0.731 Intermediate Similarity NPD5763 Approved
0.731 Intermediate Similarity NPD3540 Phase 1
0.7308 Intermediate Similarity NPD919 Approved
0.7301 Intermediate Similarity NPD7549 Discontinued
0.7293 Intermediate Similarity NPD1548 Phase 1
0.729 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD228 Approved
0.7286 Intermediate Similarity NPD4625 Phase 3
0.7285 Intermediate Similarity NPD3686 Approved
0.7285 Intermediate Similarity NPD3687 Approved
0.7273 Intermediate Similarity NPD6653 Approved
0.7254 Intermediate Similarity NPD4060 Phase 1
0.7248 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD6799 Approved
0.7244 Intermediate Similarity NPD290 Approved
0.7234 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD7843 Approved
0.723 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6111 Discontinued
0.7208 Intermediate Similarity NPD37 Approved
0.7206 Intermediate Similarity NPD1610 Phase 2
0.7203 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3146 Approved
0.7197 Intermediate Similarity NPD7157 Approved
0.7194 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD2684 Approved
0.7185 Intermediate Similarity NPD4626 Approved
0.7183 Intermediate Similarity NPD6233 Phase 2
0.7179 Intermediate Similarity NPD4967 Phase 2
0.7179 Intermediate Similarity NPD4965 Approved
0.7179 Intermediate Similarity NPD4966 Approved
0.7179 Intermediate Similarity NPD3882 Suspended
0.7174 Intermediate Similarity NPD6696 Suspended
0.7174 Intermediate Similarity NPD3225 Approved
0.7172 Intermediate Similarity NPD3748 Approved
0.7165 Intermediate Similarity NPD3134 Approved
0.7164 Intermediate Similarity NPD7533 Approved
0.7164 Intermediate Similarity NPD7534 Approved
0.7163 Intermediate Similarity NPD7095 Approved
0.7161 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1608 Approved
0.7143 Intermediate Similarity NPD2861 Phase 2
0.7133 Intermediate Similarity NPD1511 Approved
0.7124 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD6099 Approved
0.7123 Intermediate Similarity NPD6100 Approved
0.7123 Intermediate Similarity NPD6032 Approved
0.7122 Intermediate Similarity NPD2797 Approved
0.7122 Intermediate Similarity NPD3266 Approved
0.7122 Intermediate Similarity NPD3267 Approved
0.7115 Intermediate Similarity NPD5353 Approved
0.7114 Intermediate Similarity NPD2219 Phase 1
0.7113 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7985 Registered
0.7107 Intermediate Similarity NPD1247 Approved
0.7101 Intermediate Similarity NPD4359 Approved
0.7092 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD6234 Discontinued
0.7083 Intermediate Similarity NPD6355 Discontinued
0.7083 Intermediate Similarity NPD230 Phase 1
0.7075 Intermediate Similarity NPD1375 Discontinued
0.7071 Intermediate Similarity NPD1019 Discontinued
0.7067 Intermediate Similarity NPD7124 Phase 2
0.7063 Intermediate Similarity NPD6232 Discontinued
0.7055 Intermediate Similarity NPD7054 Approved
0.7051 Intermediate Similarity NPD1465 Phase 2
0.7051 Intermediate Similarity NPD7819 Suspended
0.7051 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD2922 Phase 1
0.705 Intermediate Similarity NPD8651 Approved
0.7047 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD4110 Phase 3
0.7039 Intermediate Similarity NPD1512 Approved
0.7039 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7473 Discontinued
0.7029 Intermediate Similarity NPD9717 Approved
0.7027 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD7074 Phase 3
0.7012 Intermediate Similarity NPD7472 Approved
0.7007 Intermediate Similarity NPD2796 Approved
0.7007 Intermediate Similarity NPD1551 Phase 2
0.7007 Intermediate Similarity NPD2935 Discontinued
0.6993 Remote Similarity NPD6798 Discontinued
0.6993 Remote Similarity NPD3268 Approved
0.6993 Remote Similarity NPD5403 Approved
0.6993 Remote Similarity NPD1048 Approved
0.698 Remote Similarity NPD6674 Discontinued
0.6978 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6975 Remote Similarity NPD6166 Phase 2
0.6975 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6975 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6974 Remote Similarity NPD5401 Approved
0.6968 Remote Similarity NPD6599 Discontinued
0.6968 Remote Similarity NPD4675 Approved
0.6968 Remote Similarity NPD4678 Approved
0.6963 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7266 Discontinued
0.6959 Remote Similarity NPD6002 Phase 3
0.6959 Remote Similarity NPD6004 Phase 3
0.6959 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6005 Phase 3
0.6959 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6944 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7033 Discontinued
0.6933 Remote Similarity NPD3750 Approved
0.6928 Remote Similarity NPD2676 Approved
0.6928 Remote Similarity NPD2675 Approved
0.6923 Remote Similarity NPD6386 Approved
0.6923 Remote Similarity NPD5089 Approved
0.6923 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6385 Approved
0.6923 Remote Similarity NPD5090 Approved
0.6918 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7075 Discontinued
0.6914 Remote Similarity NPD5242 Approved
0.6914 Remote Similarity NPD3926 Phase 2
0.6908 Remote Similarity NPD4357 Discontinued
0.6908 Remote Similarity NPD1774 Approved
0.6908 Remote Similarity NPD5297 Approved
0.6899 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6899 Remote Similarity NPD968 Approved
0.6897 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4307 Phase 2
0.6894 Remote Similarity NPD8127 Discontinued
0.689 Remote Similarity NPD7228 Approved
0.689 Remote Similarity NPD3818 Discontinued
0.6886 Remote Similarity NPD7808 Phase 3
0.6883 Remote Similarity NPD920 Approved
0.6879 Remote Similarity NPD6362 Approved
0.6875 Remote Similarity NPD411 Approved
0.6871 Remote Similarity NPD7097 Phase 1
0.6867 Remote Similarity NPD1243 Approved
0.6863 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6861 Remote Similarity NPD1357 Approved
0.6859 Remote Similarity NPD4972 Discontinued
0.6852 Remote Similarity NPD7229 Phase 3
0.685 Remote Similarity NPD291 Approved
0.6849 Remote Similarity NPD4340 Discontinued
0.6839 Remote Similarity NPD4210 Discontinued
0.6835 Remote Similarity NPD1535 Discovery

Structure

External Identifiers

PubChem CID   10322410
ChEMBL   CHEMBL478930
ZINC  

Physicochemical Properties

Molecular Weight:  468.32
ALogP:  5.3892
MLogP:  4.32
XLogP:  8.621
# Rotatable Bonds:  23
Polar Surface Area:  44.76
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  34

Download Data

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