Natural Product: NPC469802

Natural Product ID:  NPC469802
Common Name:   (R)-5-((1R,3R,4As,8Ar)-3-Acetoxy-4A,5,5,8A-Tetramethyl-2-Methylenedecahydronaphthalen-1-Yl)-3-Methylpent-2-Ene-1,4-Diyl Diacetate
IUPAC Name:   [(E,4R)-5-[(1R,3R,4aS,8aS)-3-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-4-acetyloxy-3-methylpent-2-enyl] acetate
Synonyms:  
Molecular Formula:   C26H40O6
Standard InCHIKey:  SJLYWQVJQJFQKI-RCAHKWKJSA-N
Standard InCHI:  InChI=1S/C26H40O6/c1-16(10-13-30-18(3)27)22(31-19(4)28)14-21-17(2)23(32-20(5)29)15-24-25(6,7)11-9-12-26(21,24)8/h10,21-24H,2,9,11-15H2,1,3-8H3/b16-10+/t21-,22+,23+,24-,26+/m0/s1
Canonical SMILES:  CC(=O)OC/C=C(/[C@@H](C[C@H]1C(=C)[C@H](OC(=O)C)C[C@@H]2[C@]1(C)CCCC2(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 = 29.4 % 1375626

  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 NPC469802 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 NPC102048
0.8795 High Similarity NPC106332
0.878 High Similarity NPC102996
0.869 High Similarity NPC246028
0.8675 High Similarity NPC102640
0.8659 High Similarity NPC474013
0.8625 High Similarity NPC170303
0.8625 High Similarity NPC25554
0.8605 High Similarity NPC7349
0.8571 High Similarity NPC69713
0.8537 High Similarity NPC96055
0.8519 High Similarity NPC471218
0.8506 High Similarity NPC105490
0.8506 High Similarity NPC140277
0.8488 Intermediate Similarity NPC234335
0.8471 Intermediate Similarity NPC261320
0.8452 Intermediate Similarity NPC166857
0.8375 Intermediate Similarity NPC242767
0.8372 Intermediate Similarity NPC232202
0.8372 Intermediate Similarity NPC220216
0.8354 Intermediate Similarity NPC189206
0.8353 Intermediate Similarity NPC93411
0.8353 Intermediate Similarity NPC473879
0.8353 Intermediate Similarity NPC291665
0.8333 Intermediate Similarity NPC131813
0.8315 Intermediate Similarity NPC475380
0.8315 Intermediate Similarity NPC94905
0.8315 Intermediate Similarity NPC209297
0.8315 Intermediate Similarity NPC194132
0.8315 Intermediate Similarity NPC8954
0.8293 Intermediate Similarity NPC256112
0.8276 Intermediate Similarity NPC473944
0.8276 Intermediate Similarity NPC477574
0.8276 Intermediate Similarity NPC124374
0.8272 Intermediate Similarity NPC233332
0.8256 Intermediate Similarity NPC170633
0.8235 Intermediate Similarity NPC471779
0.8222 Intermediate Similarity NPC100912
0.8222 Intermediate Similarity NPC475446
0.8222 Intermediate Similarity NPC51499
0.8222 Intermediate Similarity NPC311241
0.8214 Intermediate Similarity NPC35933
0.8202 Intermediate Similarity NPC471362
0.8202 Intermediate Similarity NPC471372
0.8202 Intermediate Similarity NPC472189
0.8202 Intermediate Similarity NPC276110
0.8193 Intermediate Similarity NPC476927
0.8182 Intermediate Similarity NPC99653
0.8171 Intermediate Similarity NPC14203
0.8171 Intermediate Similarity NPC229584
0.8161 Intermediate Similarity NPC78973
0.8132 Intermediate Similarity NPC107806
0.8132 Intermediate Similarity NPC325229
0.8132 Intermediate Similarity NPC72647
0.8132 Intermediate Similarity NPC275086
0.8118 Intermediate Similarity NPC329692
0.8118 Intermediate Similarity NPC286153
0.8118 Intermediate Similarity NPC471219
0.8111 Intermediate Similarity NPC171598
0.8095 Intermediate Similarity NPC32223
0.8095 Intermediate Similarity NPC306951
0.809 Intermediate Similarity NPC472416
0.809 Intermediate Similarity NPC161998
0.809 Intermediate Similarity NPC57117
0.809 Intermediate Similarity NPC472360
0.809 Intermediate Similarity NPC477722
0.8072 Intermediate Similarity NPC286786
0.8068 Intermediate Similarity NPC41239
0.8068 Intermediate Similarity NPC329842
0.8049 Intermediate Similarity NPC281880
0.8049 Intermediate Similarity NPC269791
0.8046 Intermediate Similarity NPC16265
0.8043 Intermediate Similarity NPC219285
0.8043 Intermediate Similarity NPC228251
0.8043 Intermediate Similarity NPC161527
0.8043 Intermediate Similarity NPC251680
0.8043 Intermediate Similarity NPC477971
0.8043 Intermediate Similarity NPC477968
0.8043 Intermediate Similarity NPC477972
0.8043 Intermediate Similarity NPC20113
0.8043 Intermediate Similarity NPC471413
0.8043 Intermediate Similarity NPC324841
0.8023 Intermediate Similarity NPC264546
0.8022 Intermediate Similarity NPC472188
0.8 Intermediate Similarity NPC471786
0.8 Intermediate Similarity NPC281134
0.8 Intermediate Similarity NPC37603
0.7978 Intermediate Similarity NPC53555
0.7976 Intermediate Similarity NPC12283
0.7976 Intermediate Similarity NPC49208
0.7976 Intermediate Similarity NPC311070
0.7976 Intermediate Similarity NPC132386
0.7976 Intermediate Similarity NPC222358
0.7976 Intermediate Similarity NPC474193
0.7976 Intermediate Similarity NPC23748
0.7975 Intermediate Similarity NPC306727
0.7973 Intermediate Similarity NPC329698
0.7957 Intermediate Similarity NPC475617
0.7957 Intermediate Similarity NPC268829
0.7957 Intermediate Similarity NPC471412
0.7957 Intermediate Similarity NPC25177
0.7957 Intermediate Similarity NPC11974
0.7957 Intermediate Similarity NPC222875
0.7957 Intermediate Similarity NPC247701
0.7957 Intermediate Similarity NPC295110
0.7955 Intermediate Similarity NPC48732
0.7952 Intermediate Similarity NPC159148
0.7952 Intermediate Similarity NPC142163
0.7952 Intermediate Similarity NPC195334
0.7952 Intermediate Similarity NPC290495
0.7949 Intermediate Similarity NPC477084
0.7935 Intermediate Similarity NPC476800
0.7935 Intermediate Similarity NPC318917
0.7935 Intermediate Similarity NPC472186
0.7935 Intermediate Similarity NPC278673
0.7935 Intermediate Similarity NPC471366
0.7931 Intermediate Similarity NPC470613
0.7931 Intermediate Similarity NPC470612
0.7927 Intermediate Similarity NPC44083
0.7927 Intermediate Similarity NPC153987
0.7927 Intermediate Similarity NPC100906
0.7922 Intermediate Similarity NPC269841
0.7912 Intermediate Similarity NPC284194
0.7912 Intermediate Similarity NPC276103
0.7912 Intermediate Similarity NPC134072
0.7912 Intermediate Similarity NPC471765
0.7912 Intermediate Similarity NPC54248
0.7912 Intermediate Similarity NPC234993
0.7912 Intermediate Similarity NPC211810
0.7912 Intermediate Similarity NPC221801
0.7901 Intermediate Similarity NPC470750
0.7901 Intermediate Similarity NPC470751
0.7889 Intermediate Similarity NPC474922
0.7889 Intermediate Similarity NPC88507
0.7882 Intermediate Similarity NPC471367
0.7882 Intermediate Similarity NPC318515
0.7872 Intermediate Similarity NPC162973
0.7872 Intermediate Similarity NPC475038
0.7872 Intermediate Similarity NPC109195
0.7872 Intermediate Similarity NPC475344
0.7872 Intermediate Similarity NPC476471
0.7865 Intermediate Similarity NPC472811
0.7865 Intermediate Similarity NPC72845
0.7865 Intermediate Similarity NPC476417
0.7865 Intermediate Similarity NPC177641
0.7857 Intermediate Similarity NPC200513
0.7857 Intermediate Similarity NPC2524
0.7849 Intermediate Similarity NPC473545
0.7849 Intermediate Similarity NPC38855
0.7849 Intermediate Similarity NPC16601
0.7849 Intermediate Similarity NPC472187
0.7849 Intermediate Similarity NPC473204
0.7841 Intermediate Similarity NPC82876
0.7841 Intermediate Similarity NPC177141
0.7841 Intermediate Similarity NPC50488
0.7841 Intermediate Similarity NPC293044
0.7841 Intermediate Similarity NPC474396
0.7831 Intermediate Similarity NPC268827
0.7826 Intermediate Similarity NPC473244
0.7816 Intermediate Similarity NPC131329
0.7816 Intermediate Similarity NPC175293
0.7816 Intermediate Similarity NPC471796
0.7805 Intermediate Similarity NPC184737
0.7791 Intermediate Similarity NPC30984
0.7791 Intermediate Similarity NPC472442
0.7791 Intermediate Similarity NPC164424
0.7789 Intermediate Similarity NPC473523
0.7789 Intermediate Similarity NPC97487
0.7789 Intermediate Similarity NPC10232
0.7789 Intermediate Similarity NPC281378
0.7789 Intermediate Similarity NPC160583
0.7789 Intermediate Similarity NPC189588
0.7789 Intermediate Similarity NPC187302
0.7789 Intermediate Similarity NPC254202
0.7789 Intermediate Similarity NPC196471
0.7789 Intermediate Similarity NPC474124
0.7789 Intermediate Similarity NPC120009
0.7789 Intermediate Similarity NPC45897
0.7778 Intermediate Similarity NPC472812
0.7778 Intermediate Similarity NPC162615
0.7778 Intermediate Similarity NPC475657
0.7778 Intermediate Similarity NPC472640
0.7778 Intermediate Similarity NPC139692
0.7778 Intermediate Similarity NPC152778
0.7778 Intermediate Similarity NPC205034
0.7778 Intermediate Similarity NPC472641
0.7778 Intermediate Similarity NPC473678
0.7766 Intermediate Similarity NPC472554
0.7765 Intermediate Similarity NPC79945
0.7765 Intermediate Similarity NPC472440
0.7765 Intermediate Similarity NPC473742
0.7765 Intermediate Similarity NPC139206
0.7765 Intermediate Similarity NPC477124
0.7763 Intermediate Similarity NPC185587
0.7753 Intermediate Similarity NPC310479
0.7753 Intermediate Similarity NPC182136
0.7753 Intermediate Similarity NPC221111
0.7753 Intermediate Similarity NPC280149
0.7753 Intermediate Similarity NPC209816
0.7753 Intermediate Similarity NPC302280

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469802 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
0.8132 Intermediate Similarity NPD7638 Approved
0.8043 Intermediate Similarity NPD7640 Approved
0.8043 Intermediate Similarity NPD7639 Approved
0.7857 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6051 Approved
0.7368 Intermediate Similarity NPD4225 Approved
0.732 Intermediate Similarity NPD7632 Discontinued
0.7129 Intermediate Similarity NPD6686 Approved
0.7128 Intermediate Similarity NPD7900 Approved
0.7128 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7748 Approved
0.7113 Intermediate Similarity NPD6648 Approved
0.7111 Intermediate Similarity NPD7146 Approved
0.7111 Intermediate Similarity NPD6684 Approved
0.7111 Intermediate Similarity NPD5330 Approved
0.7111 Intermediate Similarity NPD6409 Approved
0.7111 Intermediate Similarity NPD7521 Approved
0.7111 Intermediate Similarity NPD7334 Approved
0.7097 Intermediate Similarity NPD7637 Suspended
0.7051 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5344 Discontinued
0.7024 Intermediate Similarity NPD8039 Approved
0.7021 Intermediate Similarity NPD6399 Phase 3
0.7 Intermediate Similarity NPD1694 Approved
0.6966 Remote Similarity NPD6695 Phase 3
0.6962 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5737 Approved
0.6957 Remote Similarity NPD6903 Approved
0.6957 Remote Similarity NPD6672 Approved
0.6957 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7515 Phase 2
0.6907 Remote Similarity NPD7902 Approved
0.6897 Remote Similarity NPD7645 Phase 2
0.6889 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7328 Approved
0.6852 Remote Similarity NPD7327 Approved
0.6842 Remote Similarity NPD5779 Approved
0.6842 Remote Similarity NPD5778 Approved
0.6818 Remote Similarity NPD7525 Registered
0.6789 Remote Similarity NPD7516 Approved
0.6765 Remote Similarity NPD6008 Approved
0.6737 Remote Similarity NPD5693 Phase 1
0.6731 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6727 Remote Similarity NPD8377 Approved
0.6727 Remote Similarity NPD8294 Approved
0.6705 Remote Similarity NPD6929 Approved
0.6703 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD7750 Discontinued
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8033 Approved
0.6667 Remote Similarity NPD7524 Approved
0.6667 Remote Similarity NPD8378 Approved
0.6632 Remote Similarity NPD6698 Approved
0.6632 Remote Similarity NPD7838 Discovery
0.6632 Remote Similarity NPD46 Approved
0.6629 Remote Similarity NPD6931 Approved
0.6629 Remote Similarity NPD6930 Phase 2
0.6628 Remote Similarity NPD6942 Approved
0.6628 Remote Similarity NPD7339 Approved
0.6628 Remote Similarity NPD8264 Approved
0.6562 Remote Similarity NPD8034 Phase 2
0.6562 Remote Similarity NPD8035 Phase 2
0.6562 Remote Similarity NPD6411 Approved
0.6559 Remote Similarity NPD6098 Approved
0.6552 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6526 Remote Similarity NPD6673 Approved
0.6526 Remote Similarity NPD6080 Approved
0.6526 Remote Similarity NPD6904 Approved
0.6522 Remote Similarity NPD3668 Phase 3
0.6522 Remote Similarity NPD4786 Approved
0.6518 Remote Similarity NPD7503 Approved
0.6512 Remote Similarity NPD6926 Approved
0.6512 Remote Similarity NPD6924 Approved
0.6489 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5209 Approved
0.6484 Remote Similarity NPD3667 Approved
0.6477 Remote Similarity NPD5776 Phase 2
0.6477 Remote Similarity NPD6925 Approved
0.6476 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6455 Remote Similarity NPD7115 Discovery
0.6452 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6444 Remote Similarity NPD7514 Phase 3
0.6444 Remote Similarity NPD7332 Phase 2
0.6442 Remote Similarity NPD7128 Approved
0.6442 Remote Similarity NPD6675 Approved
0.6442 Remote Similarity NPD5739 Approved
0.6442 Remote Similarity NPD6402 Approved
0.6435 Remote Similarity NPD7507 Approved
0.6404 Remote Similarity NPD7145 Approved
0.64 Remote Similarity NPD6083 Phase 2
0.64 Remote Similarity NPD6084 Phase 2
0.6392 Remote Similarity NPD7087 Discontinued
0.6383 Remote Similarity NPD3618 Phase 1
0.6374 Remote Similarity NPD6902 Approved
0.6364 Remote Similarity NPD6933 Approved
0.6354 Remote Similarity NPD5328 Approved
0.6354 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6101 Approved
0.6337 Remote Similarity NPD8029 Clinical (unspecified phase)
0.633 Remote Similarity NPD8133 Approved
0.6321 Remote Similarity NPD6881 Approved
0.6321 Remote Similarity NPD7320 Approved
0.6321 Remote Similarity NPD6899 Approved
0.6292 Remote Similarity NPD6932 Approved
0.6279 Remote Similarity NPD7151 Approved
0.6279 Remote Similarity NPD7150 Approved
0.6279 Remote Similarity NPD7152 Approved
0.6277 Remote Similarity NPD6893 Approved
0.6271 Remote Similarity NPD7319 Approved
0.6264 Remote Similarity NPD7509 Discontinued
0.6262 Remote Similarity NPD6372 Approved
0.6262 Remote Similarity NPD6373 Approved
0.6262 Remote Similarity NPD8132 Clinical (unspecified phase)
0.625 Remote Similarity NPD5208 Approved
0.6239 Remote Similarity NPD6053 Discontinued
0.6235 Remote Similarity NPD6923 Approved
0.6235 Remote Similarity NPD6922 Approved
0.6226 Remote Similarity NPD6412 Phase 2
0.6226 Remote Similarity NPD5697 Approved
0.6226 Remote Similarity NPD5701 Approved
0.6224 Remote Similarity NPD6050 Approved
0.6224 Remote Similarity NPD6079 Approved
0.6222 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6883 Approved
0.6204 Remote Similarity NPD7290 Approved
0.6204 Remote Similarity NPD7102 Approved
0.62 Remote Similarity NPD5695 Phase 3
0.6196 Remote Similarity NPD6898 Phase 1
0.6186 Remote Similarity NPD1695 Approved
0.6182 Remote Similarity NPD4632 Approved
0.6176 Remote Similarity NPD5696 Approved
0.617 Remote Similarity NPD3665 Phase 1
0.617 Remote Similarity NPD3133 Approved
0.617 Remote Similarity NPD3666 Approved
0.6168 Remote Similarity NPD6011 Approved
0.6163 Remote Similarity NPD7143 Approved
0.6163 Remote Similarity NPD7144 Approved
0.6154 Remote Similarity NPD6683 Phase 2
0.6147 Remote Similarity NPD8130 Phase 1
0.6147 Remote Similarity NPD6650 Approved
0.6147 Remote Similarity NPD6617 Approved
0.6147 Remote Similarity NPD6649 Approved
0.6147 Remote Similarity NPD6869 Approved
0.6147 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6147 Remote Similarity NPD6847 Approved
0.6146 Remote Similarity NPD4251 Approved
0.6146 Remote Similarity NPD4250 Approved
0.6122 Remote Similarity NPD5785 Approved
0.6122 Remote Similarity NPD5692 Phase 3
0.6122 Remote Similarity NPD3168 Discontinued
0.6111 Remote Similarity NPD6014 Approved
0.6111 Remote Similarity NPD6013 Approved
0.6111 Remote Similarity NPD6012 Approved
0.6105 Remote Similarity NPD1733 Clinical (unspecified phase)
0.61 Remote Similarity NPD6001 Approved
0.6092 Remote Similarity NPD4243 Approved
0.6091 Remote Similarity NPD6882 Approved
0.6091 Remote Similarity NPD8297 Approved
0.6087 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4695 Discontinued
0.6064 Remote Similarity NPD5362 Discontinued
0.6064 Remote Similarity NPD7154 Phase 3
0.6061 Remote Similarity NPD5694 Approved
0.6061 Remote Similarity NPD7983 Approved
0.6055 Remote Similarity NPD6371 Approved
0.6044 Remote Similarity NPD6114 Approved
0.6044 Remote Similarity NPD6115 Approved
0.6044 Remote Similarity NPD6697 Approved
0.6044 Remote Similarity NPD6118 Approved
0.6042 Remote Similarity NPD4249 Approved
0.602 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6018 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD6319 Approved
0.5983 Remote Similarity NPD7604 Phase 2
0.5983 Remote Similarity NPD8328 Phase 3
0.5981 Remote Similarity NPD6640 Phase 3
0.598 Remote Similarity NPD7732 Phase 3
0.598 Remote Similarity NPD4792 Clinical (unspecified phase)
0.598 Remote Similarity NPD5220 Clinical (unspecified phase)
0.598 Remote Similarity NPD5349 Clinical (unspecified phase)
0.598 Remote Similarity NPD4697 Phase 3
0.598 Remote Similarity NPD5221 Approved
0.598 Remote Similarity NPD5222 Approved
0.5978 Remote Similarity NPD4195 Approved
0.596 Remote Similarity NPD5207 Approved
0.5955 Remote Similarity NPD4785 Approved
0.5955 Remote Similarity NPD4784 Approved
0.5948 Remote Similarity NPD5983 Phase 2
0.5941 Remote Similarity NPD5707 Approved
0.5932 Remote Similarity NPD7492 Approved

Structure

External Identifiers

PubChem CID   49799348
ChEMBL   CHEMBL1173547
ZINC  

Physicochemical Properties

Molecular Weight:  448.28
ALogP:  2.3659
MLogP:  3.66
XLogP:  6.093
# Rotatable Bonds:  17
Polar Surface Area:  78.9
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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