Natural Product: NPC242767

Natural Product ID:  NPC242767
Common Name:   12-O-Acetylphysacoztomatin
IUPAC Name:   [(E,2R)-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-5-hydroxy-3-methylpent-3-en-2-yl] acetate
Synonyms:   12-O-Acetylphysacoztomatin
Molecular Formula:   C22H36O3
Standard InCHIKey:  XXKXYCZWYIZXHT-VWVWAGKGSA-N
Standard InCHI:  InChI=1S/C22H36O3/c1-15-8-9-20-21(4,5)11-7-12-22(20,6)18(15)14-19(25-17(3)24)16(2)10-13-23/h8,10,18-20,23H,7,9,11-14H2,1-6H3/b16-10+/t18-,19+,20-,22+/m0/s1
Canonical SMILES:  OC/C=C(/[C@@H](C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C)OC(=O)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
NPO23525 Physalis sordida Species Solanaceae Eukaryota PMID[20575572]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 25.4 % 16872140

  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 NPC242767 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
0.9 High Similarity NPC35933
0.8861 High Similarity NPC256112
0.8795 High Similarity NPC246028
0.878 High Similarity NPC166857
0.875 High Similarity NPC311070
0.875 High Similarity NPC23748
0.8649 High Similarity NPC34834
0.8608 High Similarity NPC233332
0.8571 High Similarity NPC470734
0.8537 High Similarity NPC42586
0.8537 High Similarity NPC473251
0.8519 High Similarity NPC42476
0.8519 High Similarity NPC49208
0.85 High Similarity NPC25554
0.85 High Similarity NPC170303
0.8481 Intermediate Similarity NPC100906
0.8471 Intermediate Similarity NPC78973
0.8471 Intermediate Similarity NPC220216
0.8462 Intermediate Similarity NPC283619
0.8452 Intermediate Similarity NPC24816
0.8434 Intermediate Similarity NPC329692
0.8415 Intermediate Similarity NPC102048
0.8415 Intermediate Similarity NPC306951
0.8395 Intermediate Similarity NPC471218
0.8391 Intermediate Similarity NPC104925
0.8391 Intermediate Similarity NPC298973
0.8375 Intermediate Similarity NPC469802
0.8375 Intermediate Similarity NPC281880
0.8372 Intermediate Similarity NPC177641
0.8372 Intermediate Similarity NPC234335
0.8372 Intermediate Similarity NPC124374
0.8353 Intermediate Similarity NPC20946
0.8353 Intermediate Similarity NPC261320
0.8353 Intermediate Similarity NPC473647
0.8333 Intermediate Similarity NPC131329
0.8333 Intermediate Similarity NPC312561
0.8313 Intermediate Similarity NPC471795
0.8313 Intermediate Similarity NPC109528
0.8293 Intermediate Similarity NPC477124
0.8293 Intermediate Similarity NPC476927
0.8293 Intermediate Similarity NPC472377
0.8276 Intermediate Similarity NPC115021
0.8276 Intermediate Similarity NPC99653
0.8272 Intermediate Similarity NPC142163
0.8272 Intermediate Similarity NPC229584
0.8272 Intermediate Similarity NPC14203
0.8272 Intermediate Similarity NPC159148
0.8235 Intermediate Similarity NPC472809
0.8235 Intermediate Similarity NPC472810
0.8228 Intermediate Similarity NPC40049
0.8214 Intermediate Similarity NPC131813
0.8214 Intermediate Similarity NPC471219
0.8214 Intermediate Similarity NPC322159
0.8193 Intermediate Similarity NPC165064
0.8182 Intermediate Similarity NPC469697
0.8182 Intermediate Similarity NPC472360
0.8182 Intermediate Similarity NPC472416
0.8171 Intermediate Similarity NPC155521
0.8171 Intermediate Similarity NPC2524
0.8161 Intermediate Similarity NPC329842
0.8161 Intermediate Similarity NPC477574
0.8161 Intermediate Similarity NPC477122
0.8158 Intermediate Similarity NPC4299
0.814 Intermediate Similarity NPC50488
0.814 Intermediate Similarity NPC16265
0.814 Intermediate Similarity NPC474396
0.814 Intermediate Similarity NPC5509
0.8133 Intermediate Similarity NPC476945
0.8125 Intermediate Similarity NPC239098
0.8118 Intermediate Similarity NPC245004
0.8118 Intermediate Similarity NPC471779
0.8118 Intermediate Similarity NPC471796
0.8111 Intermediate Similarity NPC98112
0.8095 Intermediate Similarity NPC191965
0.8095 Intermediate Similarity NPC474013
0.8095 Intermediate Similarity NPC52628
0.8095 Intermediate Similarity NPC472442
0.8082 Intermediate Similarity NPC329698
0.8072 Intermediate Similarity NPC472440
0.8072 Intermediate Similarity NPC474809
0.8072 Intermediate Similarity NPC474789
0.8072 Intermediate Similarity NPC52108
0.8068 Intermediate Similarity NPC169343
0.8068 Intermediate Similarity NPC53555
0.8052 Intermediate Similarity NPC472254
0.8049 Intermediate Similarity NPC475944
0.8049 Intermediate Similarity NPC474683
0.8049 Intermediate Similarity NPC474731
0.8049 Intermediate Similarity NPC7505
0.8049 Intermediate Similarity NPC474759
0.8049 Intermediate Similarity NPC82986
0.8049 Intermediate Similarity NPC474752
0.8049 Intermediate Similarity NPC327002
0.8046 Intermediate Similarity NPC469403
0.8046 Intermediate Similarity NPC232426
0.8046 Intermediate Similarity NPC198818
0.8046 Intermediate Similarity NPC182136
0.8046 Intermediate Similarity NPC48732
0.8046 Intermediate Similarity NPC280149
0.8046 Intermediate Similarity NPC221111
0.8046 Intermediate Similarity NPC281942
0.8026 Intermediate Similarity NPC471560
0.8026 Intermediate Similarity NPC101622
0.8026 Intermediate Similarity NPC474248
0.8025 Intermediate Similarity NPC233295
0.8025 Intermediate Similarity NPC44083
0.8025 Intermediate Similarity NPC153987
0.8025 Intermediate Similarity NPC327674
0.8023 Intermediate Similarity NPC472378
0.8023 Intermediate Similarity NPC474629
0.8 Intermediate Similarity NPC284194
0.8 Intermediate Similarity NPC474970
0.8 Intermediate Similarity NPC211810
0.8 Intermediate Similarity NPC286153
0.8 Intermediate Similarity NPC175145
0.8 Intermediate Similarity NPC262747
0.8 Intermediate Similarity NPC84121
0.8 Intermediate Similarity NPC88009
0.8 Intermediate Similarity NPC137306
0.8 Intermediate Similarity NPC471765
0.8 Intermediate Similarity NPC162346
0.8 Intermediate Similarity NPC190713
0.8 Intermediate Similarity NPC69649
0.8 Intermediate Similarity NPC220478
0.8 Intermediate Similarity NPC475069
0.8 Intermediate Similarity NPC132542
0.8 Intermediate Similarity NPC325594
0.8 Intermediate Similarity NPC473226
0.8 Intermediate Similarity NPC221801
0.8 Intermediate Similarity NPC68703
0.8 Intermediate Similarity NPC114651
0.8 Intermediate Similarity NPC91594
0.8 Intermediate Similarity NPC82979
0.8 Intermediate Similarity NPC102996
0.7978 Intermediate Similarity NPC91010
0.7978 Intermediate Similarity NPC469491
0.7978 Intermediate Similarity NPC474922
0.7978 Intermediate Similarity NPC105490
0.7976 Intermediate Similarity NPC96055
0.7976 Intermediate Similarity NPC46320
0.7955 Intermediate Similarity NPC472814
0.7955 Intermediate Similarity NPC177037
0.7955 Intermediate Similarity NPC41239
0.7955 Intermediate Similarity NPC472811
0.7955 Intermediate Similarity NPC141831
0.7952 Intermediate Similarity NPC224455
0.7952 Intermediate Similarity NPC304285
0.7952 Intermediate Similarity NPC471298
0.7952 Intermediate Similarity NPC470049
0.7931 Intermediate Similarity NPC293044
0.7931 Intermediate Similarity NPC174342
0.7931 Intermediate Similarity NPC472240
0.7931 Intermediate Similarity NPC177141
0.7931 Intermediate Similarity NPC281524
0.7931 Intermediate Similarity NPC262858
0.7931 Intermediate Similarity NPC146554
0.7931 Intermediate Similarity NPC314727
0.7927 Intermediate Similarity NPC195424
0.7927 Intermediate Similarity NPC474592
0.7912 Intermediate Similarity NPC254496
0.7912 Intermediate Similarity NPC477719
0.7912 Intermediate Similarity NPC210337
0.7912 Intermediate Similarity NPC477718
0.7912 Intermediate Similarity NPC473244
0.7907 Intermediate Similarity NPC102640
0.7907 Intermediate Similarity NPC171722
0.7901 Intermediate Similarity NPC179028
0.7901 Intermediate Similarity NPC321514
0.7901 Intermediate Similarity NPC83351
0.7901 Intermediate Similarity NPC209135
0.7901 Intermediate Similarity NPC474816
0.7901 Intermediate Similarity NPC476314
0.7901 Intermediate Similarity NPC167891
0.7895 Intermediate Similarity NPC96484
0.7895 Intermediate Similarity NPC208999
0.7889 Intermediate Similarity NPC472441
0.7889 Intermediate Similarity NPC37603
0.7889 Intermediate Similarity NPC471786
0.7889 Intermediate Similarity NPC276110
0.7882 Intermediate Similarity NPC119001
0.7882 Intermediate Similarity NPC189311
0.7882 Intermediate Similarity NPC266511
0.7882 Intermediate Similarity NPC86316
0.7882 Intermediate Similarity NPC106416
0.7882 Intermediate Similarity NPC274448
0.7882 Intermediate Similarity NPC30984
0.7875 Intermediate Similarity NPC265588
0.7875 Intermediate Similarity NPC247325
0.7875 Intermediate Similarity NPC244488
0.7867 Intermediate Similarity NPC202017
0.7867 Intermediate Similarity NPC242945
0.7867 Intermediate Similarity NPC259156
0.7865 Intermediate Similarity NPC38232
0.7865 Intermediate Similarity NPC472812
0.7865 Intermediate Similarity NPC7349
0.7857 Intermediate Similarity NPC193198
0.7857 Intermediate Similarity NPC474193
0.7857 Intermediate Similarity NPC57370
0.7857 Intermediate Similarity NPC471297
0.7857 Intermediate Similarity NPC79945

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC242767 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
0.7931 Intermediate Similarity NPD6051 Approved
0.7742 Intermediate Similarity NPD7640 Approved
0.7742 Intermediate Similarity NPD7639 Approved
0.7634 Intermediate Similarity NPD7638 Approved
0.7558 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD4225 Approved
0.7386 Intermediate Similarity NPD6409 Approved
0.7386 Intermediate Similarity NPD6684 Approved
0.7386 Intermediate Similarity NPD7334 Approved
0.7386 Intermediate Similarity NPD7521 Approved
0.7386 Intermediate Similarity NPD7146 Approved
0.7386 Intermediate Similarity NPD5330 Approved
0.7381 Intermediate Similarity NPD7645 Phase 2
0.7368 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6942 Approved
0.7317 Intermediate Similarity NPD8264 Approved
0.7317 Intermediate Similarity NPD8039 Approved
0.7317 Intermediate Similarity NPD7339 Approved
0.7283 Intermediate Similarity NPD6399 Phase 3
0.7273 Intermediate Similarity NPD1694 Approved
0.7229 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6903 Approved
0.7204 Intermediate Similarity NPD7748 Approved
0.7174 Intermediate Similarity NPD7515 Phase 2
0.7174 Intermediate Similarity NPD7637 Suspended
0.7159 Intermediate Similarity NPD4786 Approved
0.7126 Intermediate Similarity NPD3667 Approved
0.7097 Intermediate Similarity NPD5778 Approved
0.7097 Intermediate Similarity NPD5779 Approved
0.7051 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD6695 Phase 3
0.7041 Intermediate Similarity NPD7632 Discontinued
0.7033 Intermediate Similarity NPD6672 Approved
0.7033 Intermediate Similarity NPD5737 Approved
0.6989 Remote Similarity NPD6411 Approved
0.6988 Remote Similarity NPD6924 Approved
0.6988 Remote Similarity NPD6926 Approved
0.6979 Remote Similarity NPD6084 Phase 2
0.6979 Remote Similarity NPD7902 Approved
0.6979 Remote Similarity NPD6083 Phase 2
0.6977 Remote Similarity NPD6929 Approved
0.6966 Remote Similarity NPD3665 Phase 1
0.6966 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3666 Approved
0.6966 Remote Similarity NPD3133 Approved
0.6923 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6930 Phase 2
0.6897 Remote Similarity NPD6931 Approved
0.6897 Remote Similarity NPD7525 Registered
0.6889 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6883 Remote Similarity NPD368 Approved
0.6863 Remote Similarity NPD6686 Approved
0.686 Remote Similarity NPD7322 Clinical (unspecified phase)
0.686 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6933 Approved
0.6822 Remote Similarity NPD7115 Discovery
0.6813 Remote Similarity NPD3618 Phase 1
0.6813 Remote Similarity NPD6098 Approved
0.6809 Remote Similarity NPD5693 Phase 1
0.6774 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6101 Approved
0.6774 Remote Similarity NPD5328 Approved
0.6771 Remote Similarity NPD5695 Phase 3
0.6768 Remote Similarity NPD5344 Discontinued
0.6757 Remote Similarity NPD342 Phase 1
0.6747 Remote Similarity NPD4243 Approved
0.6744 Remote Similarity NPD6925 Approved
0.6744 Remote Similarity NPD5776 Phase 2
0.6739 Remote Similarity NPD7524 Approved
0.6739 Remote Similarity NPD7750 Discontinued
0.6707 Remote Similarity NPD6923 Approved
0.6707 Remote Similarity NPD6922 Approved
0.6705 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7514 Phase 3
0.6705 Remote Similarity NPD7332 Phase 2
0.6703 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD7145 Approved
0.6667 Remote Similarity NPD4192 Approved
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD4194 Approved
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD7154 Phase 3
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD4193 Approved
0.6667 Remote Similarity NPD4191 Approved
0.6632 Remote Similarity NPD6079 Approved
0.663 Remote Similarity NPD4623 Approved
0.663 Remote Similarity NPD5279 Phase 3
0.663 Remote Similarity NPD4519 Discontinued
0.6629 Remote Similarity NPD6902 Approved
0.6627 Remote Similarity NPD7143 Approved
0.6627 Remote Similarity NPD7144 Approved
0.6596 Remote Similarity NPD6080 Approved
0.6596 Remote Similarity NPD6673 Approved
0.6596 Remote Similarity NPD6904 Approved
0.6593 Remote Similarity NPD3668 Phase 3
0.6591 Remote Similarity NPD4195 Approved
0.6588 Remote Similarity NPD4785 Approved
0.6588 Remote Similarity NPD4784 Approved
0.6566 Remote Similarity NPD5696 Approved
0.6559 Remote Similarity NPD3573 Approved
0.6548 Remote Similarity NPD7151 Approved
0.6548 Remote Similarity NPD7150 Approved
0.6548 Remote Similarity NPD7152 Approved
0.6538 Remote Similarity NPD6899 Approved
0.6538 Remote Similarity NPD7320 Approved
0.6538 Remote Similarity NPD6881 Approved
0.6531 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6526 Remote Similarity NPD46 Approved
0.6526 Remote Similarity NPD7838 Discovery
0.6526 Remote Similarity NPD6698 Approved
0.6522 Remote Similarity NPD6893 Approved
0.6517 Remote Similarity NPD4819 Approved
0.6517 Remote Similarity NPD4821 Approved
0.6517 Remote Similarity NPD4822 Approved
0.6517 Remote Similarity NPD4820 Approved
0.6517 Remote Similarity NPD7509 Discontinued
0.6489 Remote Similarity NPD5208 Approved
0.6484 Remote Similarity NPD5332 Approved
0.6484 Remote Similarity NPD5331 Approved
0.6477 Remote Similarity NPD4271 Approved
0.6477 Remote Similarity NPD4268 Approved
0.6476 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6476 Remote Similarity NPD6372 Approved
0.6476 Remote Similarity NPD6373 Approved
0.6458 Remote Similarity NPD6050 Approved
0.6458 Remote Similarity NPD8035 Phase 2
0.6458 Remote Similarity NPD8034 Phase 2
0.6458 Remote Similarity NPD7087 Discontinued
0.6455 Remote Similarity NPD7327 Approved
0.6455 Remote Similarity NPD7328 Approved
0.6449 Remote Similarity NPD6053 Discontinued
0.6447 Remote Similarity NPD4219 Approved
0.6444 Remote Similarity NPD4790 Discontinued
0.6444 Remote Similarity NPD6898 Phase 1
0.6442 Remote Similarity NPD5701 Approved
0.6442 Remote Similarity NPD5697 Approved
0.6429 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7503 Approved
0.6421 Remote Similarity NPD4753 Phase 2
0.6421 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6883 Approved
0.6415 Remote Similarity NPD7102 Approved
0.6415 Remote Similarity NPD7290 Approved
0.64 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6396 Remote Similarity NPD7516 Approved
0.6392 Remote Similarity NPD4202 Approved
0.6381 Remote Similarity NPD6011 Approved
0.6374 Remote Similarity NPD4269 Approved
0.6374 Remote Similarity NPD4223 Phase 3
0.6374 Remote Similarity NPD4221 Approved
0.6374 Remote Similarity NPD4270 Approved
0.6374 Remote Similarity NPD5209 Approved
0.6364 Remote Similarity NPD6932 Approved
0.6355 Remote Similarity NPD8130 Phase 1
0.6355 Remote Similarity NPD6869 Approved
0.6355 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6617 Approved
0.6355 Remote Similarity NPD6847 Approved
0.6355 Remote Similarity NPD6649 Approved
0.6355 Remote Similarity NPD6650 Approved
0.6354 Remote Similarity NPD5692 Phase 3
0.6354 Remote Similarity NPD5207 Approved
0.6344 Remote Similarity NPD5329 Approved
0.6339 Remote Similarity NPD8294 Approved
0.6339 Remote Similarity NPD8377 Approved
0.6337 Remote Similarity NPD6404 Discontinued
0.6333 Remote Similarity NPD4695 Discontinued
0.6333 Remote Similarity NPD4748 Discontinued
0.6327 Remote Similarity NPD5707 Approved
0.6322 Remote Similarity NPD4190 Phase 3
0.6322 Remote Similarity NPD5275 Approved
0.6321 Remote Similarity NPD6014 Approved
0.6321 Remote Similarity NPD6013 Approved
0.6321 Remote Similarity NPD6012 Approved
0.6296 Remote Similarity NPD8297 Approved
0.6296 Remote Similarity NPD6882 Approved
0.6289 Remote Similarity NPD5694 Approved
0.6289 Remote Similarity NPD5281 Approved
0.6289 Remote Similarity NPD5284 Approved
0.6286 Remote Similarity NPD6412 Phase 2
0.6283 Remote Similarity NPD8378 Approved
0.6283 Remote Similarity NPD8380 Approved
0.6283 Remote Similarity NPD8296 Approved
0.6283 Remote Similarity NPD8033 Approved
0.6283 Remote Similarity NPD8379 Approved
0.6283 Remote Similarity NPD8335 Approved
0.6277 Remote Similarity NPD5786 Approved
0.6263 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6237 Remote Similarity NPD4197 Approved
0.6222 Remote Similarity NPD6683 Phase 2

Structure

External Identifiers

PubChem CID   46873593
ChEMBL   CHEMBL1172819
ZINC  

Physicochemical Properties

Molecular Weight:  348.27
ALogP:  2.3275
MLogP:  3.55
XLogP:  6.387
# Rotatable Bonds:  13
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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