Natural Product: NPC476399

Natural Product ID:  NPC476399
Common Name:   [1-(3,4-Dimethoxyphenyl)-2-(2,6-Dimethoxy-3-Prop-2-Enylphenoxy)Propyl] Acetate
IUPAC Name:   [1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-3-prop-2-enylphenoxy)propyl] acetate
Synonyms:  
Molecular Formula:   C24H30O7
Standard InCHIKey:  UUAVCSCWNKVAGM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H30O7/c1-8-9-17-10-13-20(27-5)24(23(17)29-7)30-15(2)22(31-16(3)25)18-11-12-19(26-4)21(14-18)28-6/h8,10-15,22H,1,9H2,2-7H3
Canonical SMILES:  C=CCc1ccc(c(c1OC)OC(C(c1ccc(c(c1)OC)OC)OC(=O)C)C)OC
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
NPO4865 Piper kadsura Species Piperaceae Eukaryota PMID[19900811]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT34 Cell Line BV-2 Mus musculus Inhibition = 27.2 % 19762244
NPT34 Cell Line BV-2 Mus musculus IC50 = 33200 nM 8277312

  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 NPC476399 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
0.9837 High Similarity NPC210674
0.968 High Similarity NPC307042
0.968 High Similarity NPC79184
0.9609 High Similarity NPC311430
0.9609 High Similarity NPC224941
0.952 High Similarity NPC474623
0.952 High Similarity NPC474651
0.9431 High Similarity NPC279379
0.938 High Similarity NPC474600
0.938 High Similarity NPC309744
0.9365 High Similarity NPC31707
0.935 High Similarity NPC261661
0.9237 High Similarity NPC286843
0.9237 High Similarity NPC471719
0.9225 High Similarity NPC319969
0.9219 High Similarity NPC19242
0.9187 High Similarity NPC472596
0.916 High Similarity NPC234865
0.9154 High Similarity NPC241341
0.9154 High Similarity NPC36437
0.9154 High Similarity NPC233018
0.9134 High Similarity NPC474670
0.9134 High Similarity NPC194841
0.9077 High Similarity NPC137669
0.9032 High Similarity NPC267064
0.9023 High Similarity NPC865
0.9008 High Similarity NPC263064
0.8992 High Similarity NPC3439
0.8992 High Similarity NPC190629
0.8992 High Similarity NPC285339
0.8992 High Similarity NPC202582
0.8992 High Similarity NPC218856
0.8992 High Similarity NPC470258
0.8992 High Similarity NPC222004
0.8992 High Similarity NPC210623
0.8992 High Similarity NPC226788
0.8992 High Similarity NPC273295
0.8984 High Similarity NPC474119
0.8984 High Similarity NPC242032
0.8984 High Similarity NPC474821
0.8939 High Similarity NPC309953
0.8939 High Similarity NPC474478
0.8931 High Similarity NPC5423
0.8923 High Similarity NPC240722
0.8923 High Similarity NPC244799
0.8915 High Similarity NPC474616
0.8906 High Similarity NPC285725
0.8906 High Similarity NPC127604
0.8906 High Similarity NPC474632
0.8906 High Similarity NPC50683
0.8906 High Similarity NPC112571
0.8906 High Similarity NPC244364
0.8889 High Similarity NPC288238
0.8872 High Similarity NPC472337
0.8872 High Similarity NPC470356
0.8872 High Similarity NPC121812
0.8872 High Similarity NPC61946
0.8872 High Similarity NPC112246
0.8872 High Similarity NPC94750
0.8872 High Similarity NPC112939
0.8872 High Similarity NPC474206
0.8871 High Similarity NPC254625
0.8871 High Similarity NPC475961
0.8864 High Similarity NPC475840
0.8864 High Similarity NPC168059
0.8864 High Similarity NPC229442
0.8855 High Similarity NPC472597
0.8855 High Similarity NPC469613
0.8855 High Similarity NPC469625
0.8855 High Similarity NPC30043
0.8849 High Similarity NPC476347
0.8849 High Similarity NPC15577
0.8846 High Similarity NPC474227
0.8846 High Similarity NPC27239
0.8846 High Similarity NPC123127
0.8824 High Similarity NPC300611
0.8815 High Similarity NPC43500
0.8815 High Similarity NPC164148
0.8806 High Similarity NPC306441
0.8806 High Similarity NPC472336
0.8806 High Similarity NPC78047
0.8806 High Similarity NPC143895
0.8806 High Similarity NPC227503
0.8806 High Similarity NPC230734
0.8806 High Similarity NPC16435
0.8806 High Similarity NPC472334
0.8806 High Similarity NPC474639
0.8788 High Similarity NPC245120
0.8788 High Similarity NPC35932
0.8788 High Similarity NPC7903
0.8788 High Similarity NPC160991
0.8788 High Similarity NPC184447
0.8788 High Similarity NPC16208
0.8786 High Similarity NPC476348
0.8786 High Similarity NPC93924
0.8786 High Similarity NPC187398
0.878 High Similarity NPC123948
0.8779 High Similarity NPC474617
0.8779 High Similarity NPC469614
0.8779 High Similarity NPC472338
0.8779 High Similarity NPC469612
0.8779 High Similarity NPC470624
0.8779 High Similarity NPC237169
0.8769 High Similarity NPC222127
0.8769 High Similarity NPC474636
0.8769 High Similarity NPC82862
0.876 High Similarity NPC9891
0.876 High Similarity NPC88297
0.876 High Similarity NPC186845
0.8741 High Similarity NPC474530
0.8741 High Similarity NPC474282
0.8741 High Similarity NPC474521
0.8741 High Similarity NPC211549
0.8741 High Similarity NPC107551
0.8741 High Similarity NPC326797
0.8741 High Similarity NPC102904
0.8741 High Similarity NPC176051
0.8741 High Similarity NPC474540
0.8741 High Similarity NPC477938
0.8741 High Similarity NPC103976
0.874 High Similarity NPC194626
0.8731 High Similarity NPC195022
0.8731 High Similarity NPC151224
0.8731 High Similarity NPC260898
0.8731 High Similarity NPC47398
0.8731 High Similarity NPC234333
0.8731 High Similarity NPC211386
0.8723 High Similarity NPC30688
0.8723 High Similarity NPC176903
0.8722 High Similarity NPC11060
0.8722 High Similarity NPC472522
0.872 High Similarity NPC308217
0.8714 High Similarity NPC178129
0.8712 High Similarity NPC141493
0.8712 High Similarity NPC469698
0.8712 High Similarity NPC184928
0.8712 High Similarity NPC473412
0.8712 High Similarity NPC474238
0.8702 High Similarity NPC469963
0.8702 High Similarity NPC469951
0.8696 High Similarity NPC34245
0.8696 High Similarity NPC91492
0.8696 High Similarity NPC7439
0.8696 High Similarity NPC256555
0.8696 High Similarity NPC110067
0.8696 High Similarity NPC218510
0.8696 High Similarity NPC138212
0.8696 High Similarity NPC76415
0.8692 High Similarity NPC473092
0.8692 High Similarity NPC98745
0.8692 High Similarity NPC8050
0.8692 High Similarity NPC210355
0.8692 High Similarity NPC473093
0.8682 High Similarity NPC105925
0.8676 High Similarity NPC270256
0.8676 High Similarity NPC471388
0.8672 High Similarity NPC108545
0.8667 High Similarity NPC248727
0.8667 High Similarity NPC172818
0.8667 High Similarity NPC302701
0.8667 High Similarity NPC270456
0.8667 High Similarity NPC173660
0.8667 High Similarity NPC269091
0.8667 High Similarity NPC265433
0.8667 High Similarity NPC162659
0.8667 High Similarity NPC25695
0.8667 High Similarity NPC11453
0.8662 High Similarity NPC21184
0.8662 High Similarity NPC120426
0.8662 High Similarity NPC205727
0.8662 High Similarity NPC294522
0.8661 High Similarity NPC477886
0.8657 High Similarity NPC170694
0.8657 High Similarity NPC317380
0.8657 High Similarity NPC111635
0.8657 High Similarity NPC310854
0.8652 High Similarity NPC477879
0.8651 High Similarity NPC471504
0.8651 High Similarity NPC473290
0.8651 High Similarity NPC222175
0.8647 High Similarity NPC470752
0.8647 High Similarity NPC127624
0.8647 High Similarity NPC202762
0.8647 High Similarity NPC475856
0.8647 High Similarity NPC86655
0.8643 High Similarity NPC268515
0.8643 High Similarity NPC40222
0.8643 High Similarity NPC475872
0.8643 High Similarity NPC205361
0.8636 High Similarity NPC91291
0.8636 High Similarity NPC214860
0.8633 High Similarity NPC87883
0.8633 High Similarity NPC326144
0.8626 High Similarity NPC281864
0.8626 High Similarity NPC328682
0.8626 High Similarity NPC54321
0.8623 High Similarity NPC472562
0.8623 High Similarity NPC174522
0.8623 High Similarity NPC80326
0.8623 High Similarity NPC131971

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476399 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
0.8561 High Similarity NPD3027 Phase 3
0.8507 High Similarity NPD1612 Clinical (unspecified phase)
0.8507 High Similarity NPD1613 Approved
0.8409 Intermediate Similarity NPD3018 Phase 2
0.8358 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8346 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8322 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.8308 Intermediate Similarity NPD2981 Phase 2
0.8271 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8244 Intermediate Similarity NPD2983 Phase 2
0.8244 Intermediate Similarity NPD2982 Phase 2
0.8243 Intermediate Similarity NPD3817 Phase 2
0.8095 Intermediate Similarity NPD5283 Phase 1
0.8082 Intermediate Similarity NPD1653 Approved
0.7987 Intermediate Similarity NPD1934 Approved
0.7955 Intermediate Similarity NPD3705 Approved
0.7955 Intermediate Similarity NPD422 Phase 1
0.7947 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD4908 Phase 1
0.7923 Intermediate Similarity NPD1548 Phase 1
0.7902 Intermediate Similarity NPD1652 Phase 2
0.7874 Intermediate Similarity NPD5535 Approved
0.7867 Intermediate Similarity NPD37 Approved
0.7857 Intermediate Similarity NPD7199 Phase 2
0.7846 Intermediate Similarity NPD5536 Phase 2
0.7842 Intermediate Similarity NPD4060 Phase 1
0.7829 Intermediate Similarity NPD4966 Approved
0.7829 Intermediate Similarity NPD4967 Phase 2
0.7829 Intermediate Similarity NPD4965 Approved
0.7826 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD1610 Phase 2
0.7817 Intermediate Similarity NPD3539 Phase 1
0.7815 Intermediate Similarity NPD2801 Approved
0.7815 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD6799 Approved
0.7793 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD5494 Approved
0.7785 Intermediate Similarity NPD5844 Phase 1
0.777 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD3540 Phase 1
0.7756 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD3496 Discontinued
0.7727 Intermediate Similarity NPD6234 Discontinued
0.7727 Intermediate Similarity NPD5585 Approved
0.7712 Intermediate Similarity NPD3882 Suspended
0.7703 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD6798 Discontinued
0.7692 Intermediate Similarity NPD2796 Approved
0.7681 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD6355 Discontinued
0.766 Intermediate Similarity NPD5124 Phase 1
0.766 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD6233 Phase 2
0.7622 Intermediate Similarity NPD3748 Approved
0.7619 Intermediate Similarity NPD1358 Approved
0.7613 Intermediate Similarity NPD919 Approved
0.7609 Intermediate Similarity NPD2861 Phase 2
0.7603 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD4110 Phase 3
0.7595 Intermediate Similarity NPD6166 Phase 2
0.7595 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD5691 Approved
0.7582 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD6032 Approved
0.7568 Intermediate Similarity NPD1511 Approved
0.7562 Intermediate Similarity NPD7054 Approved
0.7556 Intermediate Similarity NPD1091 Approved
0.7556 Intermediate Similarity NPD1611 Approved
0.7554 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD17 Approved
0.7537 Intermediate Similarity NPD1778 Approved
0.7535 Intermediate Similarity NPD1933 Approved
0.7532 Intermediate Similarity NPD5402 Approved
0.7517 Intermediate Similarity NPD5762 Approved
0.7517 Intermediate Similarity NPD7266 Discontinued
0.7517 Intermediate Similarity NPD5763 Approved
0.7516 Intermediate Similarity NPD7074 Phase 3
0.7516 Intermediate Similarity NPD7472 Approved
0.75 Intermediate Similarity NPD4625 Phase 3
0.75 Intermediate Similarity NPD4678 Approved
0.75 Intermediate Similarity NPD6599 Discontinued
0.75 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD4675 Approved
0.75 Intermediate Similarity NPD7095 Approved
0.7485 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7549 Discontinued
0.7483 Intermediate Similarity NPD3686 Approved
0.7483 Intermediate Similarity NPD3687 Approved
0.7468 Intermediate Similarity NPD7819 Suspended
0.7468 Intermediate Similarity NPD6232 Discontinued
0.7467 Intermediate Similarity NPD1512 Approved
0.7452 Intermediate Similarity NPD5677 Discontinued
0.7451 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD1296 Phase 2
0.7445 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD4359 Approved
0.7445 Intermediate Similarity NPD4749 Approved
0.7436 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7075 Discontinued
0.7434 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6832 Phase 2
0.7422 Intermediate Similarity NPD2684 Approved
0.7421 Intermediate Similarity NPD5242 Approved
0.7419 Intermediate Similarity NPD5353 Approved
0.7419 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD5403 Approved
0.7415 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD6674 Discontinued
0.7413 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD4340 Discontinued
0.7413 Intermediate Similarity NPD447 Suspended
0.7403 Intermediate Similarity NPD6801 Discontinued
0.7402 Intermediate Similarity NPD3134 Approved
0.74 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD5401 Approved
0.74 Intermediate Similarity NPD3146 Approved
0.7394 Intermediate Similarity NPD4062 Phase 3
0.7391 Intermediate Similarity NPD7228 Approved
0.7385 Intermediate Similarity NPD228 Approved
0.7383 Intermediate Similarity NPD7124 Phase 2
0.7379 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD7033 Discontinued
0.7378 Intermediate Similarity NPD7808 Phase 3
0.7372 Intermediate Similarity NPD1608 Approved
0.7365 Intermediate Similarity NPD3750 Approved
0.7365 Intermediate Similarity NPD4628 Phase 3
0.7362 Intermediate Similarity NPD6797 Phase 2
0.7362 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD2653 Approved
0.7355 Intermediate Similarity NPD1465 Phase 2
0.7344 Intermediate Similarity NPD290 Approved
0.7338 Intermediate Similarity NPD6385 Approved
0.7338 Intermediate Similarity NPD6386 Approved
0.7333 Intermediate Similarity NPD4357 Discontinued
0.7329 Intermediate Similarity NPD1551 Phase 2
0.7329 Intermediate Similarity NPD7473 Discontinued
0.7329 Intermediate Similarity NPD2438 Suspended
0.7328 Intermediate Similarity NPD7843 Approved
0.7324 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7251 Discontinued
0.7312 Intermediate Similarity NPD3926 Phase 2
0.731 Intermediate Similarity NPD7097 Phase 1
0.7296 Intermediate Similarity NPD1247 Approved
0.7293 Intermediate Similarity NPD7157 Approved
0.7292 Intermediate Similarity NPD230 Phase 1
0.7285 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD4626 Approved
0.7279 Intermediate Similarity NPD1375 Discontinued
0.7279 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4870 Approved
0.7273 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4972 Discontinued
0.7266 Intermediate Similarity NPD2922 Phase 1
0.7266 Intermediate Similarity NPD8651 Approved
0.7266 Intermediate Similarity NPD3225 Approved
0.7259 Intermediate Similarity NPD1894 Discontinued
0.725 Intermediate Similarity NPD7229 Phase 3
0.7248 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6653 Approved
0.7237 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1549 Phase 2
0.723 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD7411 Suspended
0.7222 Intermediate Similarity NPD4140 Approved
0.7222 Intermediate Similarity NPD2979 Phase 3
0.7222 Intermediate Similarity NPD1558 Phase 1
0.7215 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD3267 Approved
0.7214 Intermediate Similarity NPD3266 Approved
0.7214 Intermediate Similarity NPD2797 Approved
0.7212 Intermediate Similarity NPD7240 Approved
0.7211 Intermediate Similarity NPD2935 Discontinued
0.7206 Intermediate Similarity NPD1357 Approved
0.72 Intermediate Similarity NPD6190 Approved
0.72 Intermediate Similarity NPD2219 Phase 1
0.72 Intermediate Similarity NPD2677 Approved
0.7192 Intermediate Similarity NPD4538 Approved
0.7192 Intermediate Similarity NPD4536 Approved
0.7192 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD6111 Discontinued
0.719 Intermediate Similarity NPD920 Approved
0.7188 Intermediate Similarity NPD9697 Approved
0.7188 Intermediate Similarity NPD8127 Discontinued
0.7181 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4236 Phase 3
0.7181 Intermediate Similarity NPD4237 Approved
0.7181 Intermediate Similarity NPD4162 Approved
0.7171 Intermediate Similarity NPD4123 Phase 3
0.7164 Intermediate Similarity NPD6671 Approved
0.7163 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD4380 Phase 2
0.716 Intermediate Similarity NPD4481 Phase 3
0.7152 Intermediate Similarity NPD7768 Phase 2
0.7143 Intermediate Similarity NPD4210 Discontinued

Structure

External Identifiers

PubChem CID   46228397
ChEMBL   CHEMBL595416
ZINC  

Physicochemical Properties

Molecular Weight:  430.20
ALogP:  0.5367
MLogP:  3.33
XLogP:  4.263
# Rotatable Bonds:  18
Polar Surface Area:  72.45
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  31

Download Data

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