Natural Product: NPC470740

Natural Product ID:  NPC470740
Common Name:   Crassifolin C
IUPAC Name:   methyl (1S,5S,6R)-5-[2-(furan-3-yl)-2-oxoethyl]-1,5,6-trimethyl-3-oxo-6,7-dihydro-2H-naphthalene-1-carboxylate
Synonyms:   Crassifolin C
Molecular Formula:   C21H24O5
Standard InCHIKey:  TWTOVEROIIRYEO-UBWHGVKJSA-N
Standard InCHI:  InChI=1S/C21H24O5/c1-13-5-6-16-17(9-15(22)10-21(16,3)19(24)25-4)20(13,2)11-18(23)14-7-8-26-12-14/h6-9,12-13H,5,10-11H2,1-4H3/t13-,20+,21+/m1/s1
Canonical SMILES:  COC(=O)[C@@]1(C)CC(=O)C=C2C1=CC[C@H]([C@]2(C)CC(=O)c1cocc1)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
NPO32991 croton crassifolius Species Euphorbiaceae Eukaryota PMID[23194476]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3574 Organism Herpes simplex virus (type 1 / strain F) Herpes simplex virus (type 1 / strain F) IC50 = 50 ug/ml 27317644

  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 NPC470740 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
0.9466 High Similarity NPC236532
0.9462 High Similarity NPC146872
0.9098 High Similarity NPC42400
0.9091 High Similarity NPC92941
0.903 High Similarity NPC220094
0.8955 High Similarity NPC470742
0.8931 High Similarity NPC298190
0.8915 High Similarity NPC83178
0.8815 High Similarity NPC310830
0.876 High Similarity NPC179354
0.875 High Similarity NPC476943
0.875 High Similarity NPC16922
0.8723 High Similarity NPC10088
0.8702 High Similarity NPC112706
0.8702 High Similarity NPC207294
0.8652 High Similarity NPC233763
0.8652 High Similarity NPC276676
0.8651 High Similarity NPC243704
0.8643 High Similarity NPC142113
0.864 High Similarity NPC45536
0.8636 High Similarity NPC208389
0.8633 High Similarity NPC473152
0.8571 High Similarity NPC470741
0.8571 High Similarity NPC267632
0.8561 High Similarity NPC477039
0.8551 High Similarity NPC474722
0.855 High Similarity NPC46536
0.855 High Similarity NPC74612
0.855 High Similarity NPC138139
0.8538 High Similarity NPC65735
0.8538 High Similarity NPC188377
0.8519 High Similarity NPC471006
0.85 High Similarity NPC52412
0.8485 Intermediate Similarity NPC95567
0.8485 Intermediate Similarity NPC319140
0.8462 Intermediate Similarity NPC224418
0.8444 Intermediate Similarity NPC471817
0.8438 Intermediate Similarity NPC473969
0.8433 Intermediate Similarity NPC21460
0.8421 Intermediate Similarity NPC477966
0.8421 Intermediate Similarity NPC477123
0.8417 Intermediate Similarity NPC90953
0.8409 Intermediate Similarity NPC23086
0.8406 Intermediate Similarity NPC307401
0.8397 Intermediate Similarity NPC243269
0.8394 Intermediate Similarity NPC158525
0.8385 Intermediate Similarity NPC317217
0.838 Intermediate Similarity NPC199044
0.838 Intermediate Similarity NPC238843
0.837 Intermediate Similarity NPC89133
0.837 Intermediate Similarity NPC136340
0.8358 Intermediate Similarity NPC59502
0.8357 Intermediate Similarity NPC56197
0.8333 Intermediate Similarity NPC473885
0.8333 Intermediate Similarity NPC471074
0.831 Intermediate Similarity NPC223415
0.8308 Intermediate Similarity NPC79557
0.8308 Intermediate Similarity NPC1848
0.8288 Intermediate Similarity NPC46551
0.8286 Intermediate Similarity NPC202260
0.8284 Intermediate Similarity NPC327527
0.8284 Intermediate Similarity NPC477040
0.8284 Intermediate Similarity NPC476917
0.8284 Intermediate Similarity NPC26532
0.8281 Intermediate Similarity NPC131801
0.8268 Intermediate Similarity NPC150895
0.8264 Intermediate Similarity NPC262198
0.8264 Intermediate Similarity NPC346
0.8264 Intermediate Similarity NPC471292
0.8258 Intermediate Similarity NPC477038
0.8258 Intermediate Similarity NPC477965
0.8252 Intermediate Similarity NPC476944
0.8248 Intermediate Similarity NPC474425
0.8248 Intermediate Similarity NPC474407
0.8248 Intermediate Similarity NPC474426
0.8244 Intermediate Similarity NPC36255
0.8244 Intermediate Similarity NPC477967
0.8235 Intermediate Similarity NPC61788
0.8231 Intermediate Similarity NPC144010
0.8227 Intermediate Similarity NPC148374
0.8217 Intermediate Similarity NPC87466
0.8209 Intermediate Similarity NPC290955
0.8209 Intermediate Similarity NPC246392
0.8207 Intermediate Similarity NPC250228
0.8201 Intermediate Similarity NPC46896
0.8195 Intermediate Similarity NPC230979
0.8169 Intermediate Similarity NPC20500
0.8168 Intermediate Similarity NPC97566
0.8163 Intermediate Similarity NPC469335
0.8163 Intermediate Similarity NPC159927
0.8162 Intermediate Similarity NPC476925
0.8151 Intermediate Similarity NPC476941
0.8151 Intermediate Similarity NPC476942
0.8148 Intermediate Similarity NPC279877
0.8143 Intermediate Similarity NPC170604
0.8143 Intermediate Similarity NPC215109
0.814 Intermediate Similarity NPC144745
0.814 Intermediate Similarity NPC208906
0.8138 Intermediate Similarity NPC62799
0.8129 Intermediate Similarity NPC159786
0.8121 Intermediate Similarity NPC471863
0.812 Intermediate Similarity NPC83115
0.812 Intermediate Similarity NPC130275
0.8116 Intermediate Similarity NPC218838
0.8116 Intermediate Similarity NPC293253
0.8099 Intermediate Similarity NPC90296
0.8095 Intermediate Similarity NPC329180
0.8088 Intermediate Similarity NPC198904
0.8085 Intermediate Similarity NPC472376
0.8085 Intermediate Similarity NPC177262
0.8082 Intermediate Similarity NPC476937
0.8082 Intermediate Similarity NPC476938
0.8082 Intermediate Similarity NPC221809
0.8082 Intermediate Similarity NPC470941
0.8079 Intermediate Similarity NPC81405
0.8069 Intermediate Similarity NPC34056
0.8069 Intermediate Similarity NPC56731
0.8067 Intermediate Similarity NPC281258
0.806 Intermediate Similarity NPC474829
0.806 Intermediate Similarity NPC75557
0.806 Intermediate Similarity NPC71274
0.8058 Intermediate Similarity NPC471998
0.8056 Intermediate Similarity NPC80635
0.8054 Intermediate Similarity NPC44577
0.8041 Intermediate Similarity NPC477404
0.8041 Intermediate Similarity NPC156189
0.8041 Intermediate Similarity NPC196864
0.8041 Intermediate Similarity NPC472298
0.8028 Intermediate Similarity NPC474615
0.8026 Intermediate Similarity NPC474932
0.8026 Intermediate Similarity NPC140952
0.8015 Intermediate Similarity NPC474438
0.8015 Intermediate Similarity NPC474279
0.8014 Intermediate Similarity NPC186626
0.8 Intermediate Similarity NPC471521
0.8 Intermediate Similarity NPC329922
0.8 Intermediate Similarity NPC329694
0.8 Intermediate Similarity NPC30222
0.8 Intermediate Similarity NPC251865
0.8 Intermediate Similarity NPC217180
0.8 Intermediate Similarity NPC473356
0.8 Intermediate Similarity NPC312525
0.8 Intermediate Similarity NPC212918
0.8 Intermediate Similarity NPC474260
0.8 Intermediate Similarity NPC178932
0.8 Intermediate Similarity NPC81912
0.8 Intermediate Similarity NPC86935
0.7987 Intermediate Similarity NPC240214
0.7987 Intermediate Similarity NPC272590
0.7986 Intermediate Similarity NPC121158
0.7985 Intermediate Similarity NPC118853
0.7984 Intermediate Similarity NPC28054
0.7984 Intermediate Similarity NPC205523
0.7973 Intermediate Similarity NPC195325
0.7973 Intermediate Similarity NPC472654
0.7973 Intermediate Similarity NPC234494
0.7973 Intermediate Similarity NPC471001
0.7959 Intermediate Similarity NPC471174
0.7959 Intermediate Similarity NPC281398
0.7959 Intermediate Similarity NPC71821
0.7956 Intermediate Similarity NPC223063
0.7956 Intermediate Similarity NPC120836
0.7953 Intermediate Similarity NPC105249
0.7947 Intermediate Similarity NPC469850
0.7947 Intermediate Similarity NPC25351
0.7947 Intermediate Similarity NPC35000
0.7947 Intermediate Similarity NPC469336
0.7947 Intermediate Similarity NPC264943
0.7945 Intermediate Similarity NPC185456
0.7941 Intermediate Similarity NPC474830
0.7941 Intermediate Similarity NPC476016
0.7933 Intermediate Similarity NPC246164
0.7933 Intermediate Similarity NPC469503
0.7933 Intermediate Similarity NPC75906
0.7931 Intermediate Similarity NPC476946
0.792 Intermediate Similarity NPC140688
0.7919 Intermediate Similarity NPC476122
0.7919 Intermediate Similarity NPC476936
0.7919 Intermediate Similarity NPC5180
0.7919 Intermediate Similarity NPC470997
0.7917 Intermediate Similarity NPC205765
0.7914 Intermediate Similarity NPC473982
0.7914 Intermediate Similarity NPC471995
0.791 Intermediate Similarity NPC476351
0.7905 Intermediate Similarity NPC19747
0.7905 Intermediate Similarity NPC93666
0.7895 Intermediate Similarity NPC60973
0.7895 Intermediate Similarity NPC209364
0.7895 Intermediate Similarity NPC469485
0.7883 Intermediate Similarity NPC329707
0.7881 Intermediate Similarity NPC57998
0.7879 Intermediate Similarity NPC244862
0.7879 Intermediate Similarity NPC67345
0.7877 Intermediate Similarity NPC117674
0.7877 Intermediate Similarity NPC84479
0.7872 Intermediate Similarity NPC476947
0.7867 Intermediate Similarity NPC18135
0.7867 Intermediate Similarity NPC116717
0.7867 Intermediate Similarity NPC291150
0.7863 Intermediate Similarity NPC227660

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470740 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
0.7902 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD1471 Phase 3
0.7639 Intermediate Similarity NPD2799 Discontinued
0.7447 Intermediate Similarity NPD6832 Phase 2
0.7434 Intermediate Similarity NPD920 Approved
0.7415 Intermediate Similarity NPD2344 Approved
0.7372 Intermediate Similarity NPD5761 Phase 2
0.7372 Intermediate Similarity NPD5760 Phase 2
0.7343 Intermediate Similarity NPD2313 Discontinued
0.7303 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD2346 Discontinued
0.7285 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD3972 Approved
0.7219 Intermediate Similarity NPD2309 Approved
0.7219 Intermediate Similarity NPD8434 Phase 2
0.7195 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD2798 Approved
0.7164 Intermediate Similarity NPD1241 Discontinued
0.7163 Intermediate Similarity NPD1876 Approved
0.716 Intermediate Similarity NPD6808 Phase 2
0.7152 Intermediate Similarity NPD4628 Phase 3
0.7143 Intermediate Similarity NPD6273 Approved
0.7089 Intermediate Similarity NPD6280 Approved
0.7089 Intermediate Similarity NPD6279 Approved
0.7086 Intermediate Similarity NPD1243 Approved
0.7075 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD6599 Discontinued
0.7063 Intermediate Similarity NPD1019 Discontinued
0.7055 Intermediate Similarity NPD8032 Phase 2
0.705 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD9717 Approved
0.7006 Intermediate Similarity NPD3226 Approved
0.7 Intermediate Similarity NPD1551 Phase 2
0.6978 Remote Similarity NPD5585 Approved
0.6975 Remote Similarity NPD919 Approved
0.694 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6765 Approved
0.6923 Remote Similarity NPD6764 Approved
0.6894 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4307 Phase 2
0.6887 Remote Similarity NPD2935 Discontinued
0.6887 Remote Similarity NPD2796 Approved
0.6875 Remote Similarity NPD3266 Approved
0.6875 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1203 Approved
0.6875 Remote Similarity NPD3267 Approved
0.6863 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6863 Remote Similarity NPD2800 Approved
0.6846 Remote Similarity NPD1933 Approved
0.6832 Remote Similarity NPD7819 Suspended
0.6828 Remote Similarity NPD5647 Approved
0.6821 Remote Similarity NPD3748 Approved
0.6818 Remote Similarity NPD7003 Approved
0.6818 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6809 Remote Similarity NPD17 Approved
0.6795 Remote Similarity NPD6799 Approved
0.6792 Remote Similarity NPD7458 Discontinued
0.6791 Remote Similarity NPD2182 Approved
0.6779 Remote Similarity NPD2979 Phase 3
0.6763 Remote Similarity NPD6785 Approved
0.6763 Remote Similarity NPD6784 Approved
0.6759 Remote Similarity NPD2797 Approved
0.6757 Remote Similarity NPD411 Approved
0.6757 Remote Similarity NPD3268 Approved
0.6736 Remote Similarity NPD4359 Approved
0.6733 Remote Similarity NPD447 Suspended
0.6733 Remote Similarity NPD6355 Discontinued
0.6728 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6727 Remote Similarity NPD5494 Approved
0.6725 Remote Similarity NPD6559 Discontinued
0.6713 Remote Similarity NPD1281 Approved
0.6711 Remote Similarity NPD4308 Phase 3
0.671 Remote Similarity NPD4110 Phase 3
0.671 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6708 Remote Similarity NPD7411 Suspended
0.6707 Remote Similarity NPD3749 Approved
0.6707 Remote Similarity NPD3926 Phase 2
0.6689 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6687 Remote Similarity NPD1247 Approved
0.6687 Remote Similarity NPD2296 Approved
0.6687 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1608 Approved
0.6667 Remote Similarity NPD3887 Approved
0.6646 Remote Similarity NPD7768 Phase 2
0.6646 Remote Similarity NPD2534 Approved
0.6646 Remote Similarity NPD2532 Approved
0.6646 Remote Similarity NPD2533 Approved
0.6642 Remote Similarity NPD3134 Approved
0.6623 Remote Similarity NPD4618 Approved
0.6623 Remote Similarity NPD4622 Approved
0.662 Remote Similarity NPD5691 Approved
0.6606 Remote Similarity NPD7075 Discontinued
0.6605 Remote Similarity NPD5890 Approved
0.6605 Remote Similarity NPD5889 Approved
0.6603 Remote Similarity NPD3750 Approved
0.6597 Remote Similarity NPD6287 Discontinued
0.6575 Remote Similarity NPD1283 Approved
0.6573 Remote Similarity NPD1778 Approved
0.6564 Remote Similarity NPD6801 Discontinued
0.6562 Remote Similarity NPD3873 Phase 3
0.6562 Remote Similarity NPD5403 Approved
0.6562 Remote Similarity NPD3869 Phase 3
0.6558 Remote Similarity NPD2531 Phase 2
0.6558 Remote Similarity NPD2438 Suspended
0.6556 Remote Similarity NPD4140 Approved
0.6556 Remote Similarity NPD3142 Approved
0.6556 Remote Similarity NPD3140 Approved
0.6548 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6541 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6541 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6541 Remote Similarity NPD5401 Approved
0.6536 Remote Similarity NPD5688 Approved
0.6536 Remote Similarity NPD5689 Approved
0.6533 Remote Similarity NPD3764 Approved
0.6528 Remote Similarity NPD3496 Discontinued
0.6528 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6525 Remote Similarity NPD9493 Approved
0.6522 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6516 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6516 Remote Similarity NPD6004 Phase 3
0.6516 Remote Similarity NPD6002 Phase 3
0.6516 Remote Similarity NPD2353 Approved
0.6516 Remote Similarity NPD6005 Phase 3
0.6516 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6503 Remote Similarity NPD1651 Approved
0.6497 Remote Similarity NPD8166 Discontinued
0.6493 Remote Similarity NPD164 Approved
0.649 Remote Similarity NPD4870 Approved
0.6485 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6485 Remote Similarity NPD5402 Approved
0.6475 Remote Similarity NPD5535 Approved
0.6474 Remote Similarity NPD970 Clinical (unspecified phase)
0.6474 Remote Similarity NPD1549 Phase 2
0.6471 Remote Similarity NPD1358 Approved
0.6471 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4477 Approved
0.6452 Remote Similarity NPD4476 Approved
0.6446 Remote Similarity NPD3882 Suspended
0.6442 Remote Similarity NPD6585 Discontinued
0.6442 Remote Similarity NPD7028 Phase 2
0.6438 Remote Similarity NPD4661 Approved
0.6438 Remote Similarity NPD4662 Approved
0.6434 Remote Similarity NPD1894 Discontinued
0.6424 Remote Similarity NPD6798 Discontinued
0.641 Remote Similarity NPD1552 Clinical (unspecified phase)
0.641 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6402 Remote Similarity NPD6873 Phase 2
0.64 Remote Similarity NPD2614 Approved
0.6395 Remote Similarity NPD5327 Phase 3
0.6391 Remote Similarity NPD8127 Discontinued
0.6387 Remote Similarity NPD1510 Phase 2
0.6387 Remote Similarity NPD7033 Discontinued
0.6386 Remote Similarity NPD3817 Phase 2
0.6379 Remote Similarity NPD5953 Discontinued
0.6369 Remote Similarity NPD4534 Discontinued
0.6364 Remote Similarity NPD6844 Discontinued
0.6364 Remote Similarity NPD1607 Approved
0.6364 Remote Similarity NPD8312 Approved
0.6364 Remote Similarity NPD8313 Approved
0.6364 Remote Similarity NPD6651 Approved
0.6358 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6358 Remote Similarity NPD7095 Approved
0.6352 Remote Similarity NPD2354 Approved
0.6352 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6345 Remote Similarity NPD4626 Approved
0.634 Remote Similarity NPD1240 Approved
0.6338 Remote Similarity NPD7157 Approved
0.6337 Remote Similarity NPD7473 Discontinued
0.6335 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6325 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6324 Remote Similarity NPD9697 Approved
0.6324 Remote Similarity NPD4107 Approved
0.6323 Remote Similarity NPD7097 Phase 1
0.6319 Remote Similarity NPD9545 Approved
0.6316 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6316 Remote Similarity NPD1238 Approved
0.6312 Remote Similarity NPD7236 Approved
0.6312 Remote Similarity NPD7440 Discontinued
0.6309 Remote Similarity NPD6362 Approved
0.6309 Remote Similarity NPD1470 Approved
0.6304 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5049 Phase 3
0.6294 Remote Similarity NPD405 Clinical (unspecified phase)
0.629 Remote Similarity NPD4482 Phase 3
0.6275 Remote Similarity NPD4062 Phase 3
0.6275 Remote Similarity NPD6233 Phase 2
0.6268 Remote Similarity NPD690 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6266 Remote Similarity NPD2897 Discontinued
0.6266 Remote Similarity NPD5958 Discontinued
0.6265 Remote Similarity NPD7317 Phase 3
0.6264 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6259 Remote Similarity NPD2067 Discontinued
0.6259 Remote Similarity NPD1611 Approved
0.6258 Remote Similarity NPD6653 Approved

Structure

External Identifiers

PubChem CID   71454345
ChEMBL   CHEMBL2208212
ZINC  

Physicochemical Properties

Molecular Weight:  356.16
ALogP:  0.577
MLogP:  3.22
XLogP:  2.435
# Rotatable Bonds:  9
Polar Surface Area:  73.58
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  26

Download Data

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