Natural Product: NPC476632

Natural Product ID:  NPC476632
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H28O3
Standard InCHIKey:  DSEWUZWKAPKNNQ-BQYQJAHWSA-N
Standard InCHI:  InChI=1S/C24H28O3/c1-16(2)5-9-20-11-18(12-21(24(20)27)10-6-17(3)4)7-8-19-13-22(25)15-23(26)14-19/h5-8,11-15,25-27H,9-10H2,1-4H3/b8-7+
Canonical SMILES:  CC(=CCc1cc(/C=C/c2cc(O)cc(c2)O)cc(c1O)CC=C(C)C)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
NPO33150 Artocarpus communis Species Moraceae Eukaryota Roots Khon Kaen, Thailand 2009-DEC PMID[25537111]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT196 Cell Line AGS Homo sapiens Activity = 25 % 25537111

  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 NPC476632 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
1.0 High Similarity NPC4493
1.0 High Similarity NPC225679
1.0 High Similarity NPC165770
0.9904 High Similarity NPC43525
0.981 High Similarity NPC117846
0.9717 High Similarity NPC107240
0.9709 High Similarity NPC63698
0.9709 High Similarity NPC61885
0.9528 High Similarity NPC166995
0.9429 High Similarity NPC33728
0.9429 High Similarity NPC19808
0.9417 High Similarity NPC474839
0.9333 High Similarity NPC174981
0.932 High Similarity NPC241891
0.932 High Similarity NPC119860
0.932 High Similarity NPC102216
0.932 High Similarity NPC30506
0.9273 High Similarity NPC277588
0.9252 High Similarity NPC224527
0.9231 High Similarity NPC292452
0.9231 High Similarity NPC134829
0.9196 High Similarity NPC223451
0.9143 High Similarity NPC248904
0.9143 High Similarity NPC109691
0.9143 High Similarity NPC39664
0.9143 High Similarity NPC302681
0.9143 High Similarity NPC470700
0.9143 High Similarity NPC39097
0.9143 High Similarity NPC118286
0.9126 High Similarity NPC100340
0.9126 High Similarity NPC143659
0.9115 High Similarity NPC24125
0.9107 High Similarity NPC191866
0.9091 High Similarity NPC84999
0.9091 High Similarity NPC246760
0.9083 High Similarity NPC263753
0.9065 High Similarity NPC202647
0.9057 High Similarity NPC54844
0.9057 High Similarity NPC204901
0.9057 High Similarity NPC158253
0.9057 High Similarity NPC232523
0.9048 High Similarity NPC37802
0.9048 High Similarity NPC246056
0.9038 High Similarity NPC242342
0.9038 High Similarity NPC302219
0.9038 High Similarity NPC168303
0.9038 High Similarity NPC249828
0.9038 High Similarity NPC94351
0.9038 High Similarity NPC313030
0.9038 High Similarity NPC53051
0.9038 High Similarity NPC24404
0.9038 High Similarity NPC146798
0.9038 High Similarity NPC222522
0.9038 High Similarity NPC85479
0.9038 High Similarity NPC106396
0.9038 High Similarity NPC71002
0.9035 High Similarity NPC237667
0.9035 High Similarity NPC476633
0.9029 High Similarity NPC161571
0.9029 High Similarity NPC166761
0.9029 High Similarity NPC10588
0.9029 High Similarity NPC248573
0.9029 High Similarity NPC275053
0.9018 High Similarity NPC144343
0.8981 High Similarity NPC475018
0.8981 High Similarity NPC224870
0.8962 High Similarity NPC201662
0.8962 High Similarity NPC12640
0.8962 High Similarity NPC99836
0.8952 High Similarity NPC218879
0.8952 High Similarity NPC244513
0.8952 High Similarity NPC227458
0.8942 High Similarity NPC147310
0.8942 High Similarity NPC72947
0.8942 High Similarity NPC24407
0.8942 High Similarity NPC284011
0.8942 High Similarity NPC137415
0.8942 High Similarity NPC192032
0.8942 High Similarity NPC11280
0.8942 High Similarity NPC294186
0.8942 High Similarity NPC166313
0.8932 High Similarity NPC80027
0.8929 High Similarity NPC470760
0.8909 High Similarity NPC23804
0.8909 High Similarity NPC261343
0.8889 High Similarity NPC299568
0.8889 High Similarity NPC186385
0.8879 High Similarity NPC53567
0.8868 High Similarity NPC138942
0.8857 High Similarity NPC168829
0.885 High Similarity NPC131118
0.8839 High Similarity NPC115808
0.8835 High Similarity NPC291789
0.8796 High Similarity NPC95344
0.8774 High Similarity NPC288411
0.8772 High Similarity NPC217174
0.8761 High Similarity NPC33270
0.8761 High Similarity NPC474933
0.8761 High Similarity NPC69261
0.875 High Similarity NPC808
0.8729 High Similarity NPC105031
0.8727 High Similarity NPC95716
0.8727 High Similarity NPC151537
0.8727 High Similarity NPC268032
0.8704 High Similarity NPC305603
0.8704 High Similarity NPC61033
0.8696 High Similarity NPC69006
0.8692 High Similarity NPC99557
0.8692 High Similarity NPC219286
0.8684 High Similarity NPC190514
0.8684 High Similarity NPC206
0.8673 High Similarity NPC85292
0.8673 High Similarity NPC150624
0.8673 High Similarity NPC141090
0.8673 High Similarity NPC54507
0.8673 High Similarity NPC229147
0.8661 High Similarity NPC249270
0.8649 High Similarity NPC46940
0.8649 High Similarity NPC473521
0.8644 High Similarity NPC224342
0.8641 High Similarity NPC26244
0.8641 High Similarity NPC274678
0.8621 High Similarity NPC102639
0.8611 High Similarity NPC54765
0.8611 High Similarity NPC271274
0.8609 High Similarity NPC184302
0.8584 High Similarity NPC53906
0.8584 High Similarity NPC464
0.8584 High Similarity NPC185541
0.8571 High Similarity NPC319803
0.8558 High Similarity NPC473388
0.8547 High Similarity NPC39029
0.8545 High Similarity NPC58865
0.8544 High Similarity NPC76938
0.8544 High Similarity NPC128062
0.8544 High Similarity NPC151715
0.8534 High Similarity NPC282255
0.8532 High Similarity NPC176527
0.8532 High Similarity NPC151477
0.8522 High Similarity NPC9592
0.8522 High Similarity NPC48781
0.8509 High Similarity NPC261973
0.8509 High Similarity NPC203113
0.8505 High Similarity NPC168393
0.8505 High Similarity NPC108497
0.85 High Similarity NPC170485
0.8496 Intermediate Similarity NPC180508
0.8496 Intermediate Similarity NPC12656
0.8496 Intermediate Similarity NPC276737
0.8496 Intermediate Similarity NPC22610
0.8496 Intermediate Similarity NPC228287
0.8496 Intermediate Similarity NPC473137
0.8491 Intermediate Similarity NPC225506
0.8476 Intermediate Similarity NPC77492
0.8475 Intermediate Similarity NPC120172
0.8468 Intermediate Similarity NPC13482
0.8468 Intermediate Similarity NPC296683
0.8462 Intermediate Similarity NPC32714
0.8455 Intermediate Similarity NPC34864
0.8455 Intermediate Similarity NPC262365
0.8455 Intermediate Similarity NPC105727
0.8455 Intermediate Similarity NPC11554
0.8455 Intermediate Similarity NPC58427
0.8455 Intermediate Similarity NPC114392
0.8448 Intermediate Similarity NPC151197
0.8447 Intermediate Similarity NPC295295
0.844 Intermediate Similarity NPC469913
0.8435 Intermediate Similarity NPC195466
0.8435 Intermediate Similarity NPC470759
0.8435 Intermediate Similarity NPC244816
0.8435 Intermediate Similarity NPC50521
0.8435 Intermediate Similarity NPC221549
0.8435 Intermediate Similarity NPC219070
0.8435 Intermediate Similarity NPC127894
0.8435 Intermediate Similarity NPC15860
0.843 Intermediate Similarity NPC252131
0.8421 Intermediate Similarity NPC472893
0.8417 Intermediate Similarity NPC105925
0.8417 Intermediate Similarity NPC113495
0.8407 Intermediate Similarity NPC715
0.8396 Intermediate Similarity NPC122005
0.8396 Intermediate Similarity NPC128723
0.8396 Intermediate Similarity NPC252821
0.8396 Intermediate Similarity NPC92730
0.8393 Intermediate Similarity NPC90520
0.8393 Intermediate Similarity NPC296920
0.8381 Intermediate Similarity NPC292730
0.8381 Intermediate Similarity NPC216520
0.8381 Intermediate Similarity NPC132271
0.8381 Intermediate Similarity NPC82664
0.8376 Intermediate Similarity NPC472071
0.8376 Intermediate Similarity NPC3239
0.8376 Intermediate Similarity NPC475245
0.8374 Intermediate Similarity NPC254000
0.8361 Intermediate Similarity NPC28765
0.8361 Intermediate Similarity NPC215300
0.835 Intermediate Similarity NPC204210
0.835 Intermediate Similarity NPC45040
0.8349 Intermediate Similarity NPC117115
0.8348 Intermediate Similarity NPC114064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476632 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
0.9126 High Similarity NPD940 Approved
0.9126 High Similarity NPD846 Approved
0.9029 High Similarity NPD1242 Phase 1
0.8889 High Similarity NPD4750 Phase 3
0.8641 High Similarity NPD2859 Approved
0.8641 High Similarity NPD2860 Approved
0.8571 High Similarity NPD3020 Approved
0.8544 High Similarity NPD2933 Approved
0.8544 High Similarity NPD2934 Approved
0.8286 Intermediate Similarity NPD844 Approved
0.8214 Intermediate Similarity NPD3022 Approved
0.8214 Intermediate Similarity NPD3021 Approved
0.8158 Intermediate Similarity NPD7635 Approved
0.8145 Intermediate Similarity NPD4625 Phase 3
0.8113 Intermediate Similarity NPD1809 Phase 2
0.8095 Intermediate Similarity NPD845 Approved
0.808 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD288 Approved
0.8036 Intermediate Similarity NPD2342 Discontinued
0.8019 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7934 Intermediate Similarity NPD1610 Phase 2
0.792 Intermediate Similarity NPD4908 Phase 1
0.7899 Intermediate Similarity NPD1548 Phase 1
0.7857 Intermediate Similarity NPD3027 Phase 3
0.7805 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD4749 Approved
0.7778 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD111 Approved
0.7623 Intermediate Similarity NPD4589 Approved
0.7619 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD5304 Approved
0.7603 Intermediate Similarity NPD3091 Approved
0.7603 Intermediate Similarity NPD5303 Approved
0.7576 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD4093 Discontinued
0.7538 Intermediate Similarity NPD1613 Approved
0.7538 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD943 Approved
0.7519 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3028 Approved
0.75 Intermediate Similarity NPD6671 Approved
0.75 Intermediate Similarity NPD3092 Approved
0.75 Intermediate Similarity NPD422 Phase 1
0.748 Intermediate Similarity NPD3019 Approved
0.748 Intermediate Similarity NPD4059 Approved
0.748 Intermediate Similarity NPD2286 Discontinued
0.748 Intermediate Similarity NPD2932 Approved
0.7479 Intermediate Similarity NPD2228 Approved
0.7479 Intermediate Similarity NPD2234 Approved
0.7479 Intermediate Similarity NPD2229 Approved
0.7462 Intermediate Similarity NPD6407 Approved
0.7462 Intermediate Similarity NPD6405 Approved
0.7458 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD1792 Phase 2
0.7424 Intermediate Similarity NPD2568 Approved
0.7422 Intermediate Similarity NPD2861 Phase 2
0.7422 Intermediate Similarity NPD3018 Phase 2
0.7405 Intermediate Similarity NPD1555 Discontinued
0.7402 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD3094 Phase 2
0.7391 Intermediate Similarity NPD7390 Discontinued
0.7379 Intermediate Similarity NPD9089 Approved
0.736 Intermediate Similarity NPD1201 Approved
0.7339 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD4626 Approved
0.7333 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD1444 Approved
0.7328 Intermediate Similarity NPD1445 Approved
0.7295 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD9093 Approved
0.7273 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4060 Phase 1
0.7273 Intermediate Similarity NPD497 Approved
0.7273 Intermediate Similarity NPD1240 Approved
0.7266 Intermediate Similarity NPD1164 Approved
0.7266 Intermediate Similarity NPD1134 Approved
0.7266 Intermediate Similarity NPD1135 Approved
0.7266 Intermediate Similarity NPD1131 Approved
0.7266 Intermediate Similarity NPD1133 Approved
0.7266 Intermediate Similarity NPD1129 Approved
0.7259 Intermediate Similarity NPD5404 Approved
0.7259 Intermediate Similarity NPD2935 Discontinued
0.7259 Intermediate Similarity NPD5406 Approved
0.7259 Intermediate Similarity NPD5405 Approved
0.7259 Intermediate Similarity NPD5408 Approved
0.7252 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD2982 Phase 2
0.7244 Intermediate Similarity NPD2983 Phase 2
0.7239 Intermediate Similarity NPD3552 Approved
0.7239 Intermediate Similarity NPD3553 Approved
0.7239 Intermediate Similarity NPD3555 Approved
0.7239 Intermediate Similarity NPD3554 Approved
0.7217 Intermediate Similarity NPD9500 Approved
0.7214 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1751 Approved
0.72 Intermediate Similarity NPD3095 Discontinued
0.719 Intermediate Similarity NPD5283 Phase 1
0.719 Intermediate Similarity NPD498 Approved
0.719 Intermediate Similarity NPD496 Approved
0.719 Intermediate Similarity NPD495 Approved
0.7177 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD7330 Discontinued
0.7168 Intermediate Similarity NPD9273 Approved
0.7167 Intermediate Similarity NPD228 Approved
0.7165 Intermediate Similarity NPD2981 Phase 2
0.7164 Intermediate Similarity NPD4097 Suspended
0.7164 Intermediate Similarity NPD1607 Approved
0.7132 Intermediate Similarity NPD6099 Approved
0.7132 Intermediate Similarity NPD1470 Approved
0.7132 Intermediate Similarity NPD6100 Approved
0.7109 Intermediate Similarity NPD4659 Approved
0.7077 Intermediate Similarity NPD6584 Phase 3
0.7059 Intermediate Similarity NPD1510 Phase 2
0.7055 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6696 Suspended
0.7031 Intermediate Similarity NPD2561 Approved
0.7031 Intermediate Similarity NPD2562 Approved
0.7023 Intermediate Similarity NPD5736 Approved
0.7015 Intermediate Similarity NPD2238 Phase 2
0.7009 Intermediate Similarity NPD9608 Approved
0.7009 Intermediate Similarity NPD9610 Approved
0.7 Intermediate Similarity NPD4103 Phase 2
0.7 Intermediate Similarity NPD3053 Approved
0.7 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3055 Approved
0.7 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5451 Approved
0.6984 Remote Similarity NPD5691 Approved
0.6984 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6984 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6984 Remote Similarity NPD1651 Approved
0.6978 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6977 Remote Similarity NPD1669 Approved
0.6972 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7447 Phase 1
0.6972 Remote Similarity NPD9094 Approved
0.6967 Remote Similarity NPD9377 Approved
0.6967 Remote Similarity NPD9379 Approved
0.6963 Remote Similarity NPD5124 Phase 1
0.6963 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6953 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6953 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6947 Remote Similarity NPD2194 Approved
0.6947 Remote Similarity NPD2195 Approved
0.6947 Remote Similarity NPD599 Approved
0.6947 Remote Similarity NPD859 Approved
0.6947 Remote Similarity NPD858 Approved
0.6947 Remote Similarity NPD602 Approved
0.6942 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6935 Remote Similarity NPD709 Approved
0.6929 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6929 Remote Similarity NPD3750 Approved
0.6923 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5310 Approved
0.6923 Remote Similarity NPD1283 Approved
0.6923 Remote Similarity NPD5311 Approved
0.6917 Remote Similarity NPD5155 Approved
0.6917 Remote Similarity NPD5156 Approved
0.6917 Remote Similarity NPD2684 Approved
0.6901 Remote Similarity NPD7213 Phase 3
0.6901 Remote Similarity NPD7212 Phase 2
0.6899 Remote Similarity NPD2232 Approved
0.6899 Remote Similarity NPD2233 Approved
0.6899 Remote Similarity NPD2230 Approved
0.6894 Remote Similarity NPD3636 Approved
0.6894 Remote Similarity NPD3635 Approved
0.6894 Remote Similarity NPD3637 Approved
0.6891 Remote Similarity NPD968 Approved
0.6875 Remote Similarity NPD1980 Approved
0.6875 Remote Similarity NPD1981 Approved
0.6875 Remote Similarity NPD3026 Approved
0.6875 Remote Similarity NPD1983 Approved
0.6875 Remote Similarity NPD3143 Discontinued
0.6875 Remote Similarity NPD3023 Approved
0.687 Remote Similarity NPD2797 Approved
0.6855 Remote Similarity NPD1793 Approved
0.6855 Remote Similarity NPD1791 Approved
0.685 Remote Similarity NPD3024 Approved
0.685 Remote Similarity NPD3025 Approved
0.6849 Remote Similarity NPD4380 Phase 2
0.6846 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6582 Phase 2
0.6846 Remote Similarity NPD6583 Phase 3
0.6842 Remote Similarity NPD2606 Approved
0.6842 Remote Similarity NPD2605 Approved
0.6835 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6835 Remote Similarity NPD3540 Phase 1
0.6835 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6829 Remote Similarity NPD5535 Approved
0.6825 Remote Similarity NPD856 Approved
0.6825 Remote Similarity NPD16 Approved
0.6824 Remote Similarity NPD7819 Suspended
0.6818 Remote Similarity NPD3690 Phase 2
0.6818 Remote Similarity NPD3691 Phase 2
0.6818 Remote Similarity NPD4624 Approved
0.6815 Remote Similarity NPD6663 Approved
0.6812 Remote Similarity NPD3299 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3394444
ZINC  

Physicochemical Properties

Molecular Weight:  364.20
ALogP:  2.8417
MLogP:  3.77
XLogP:  6.376
# Rotatable Bonds:  13
Polar Surface Area:  60.69
# H-Bond Aceptor:  0
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  27

Download Data

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