Natural Product: NPC478144

Natural Product ID:  NPC478144
Common Name:   [(E)-2-[(1S,2S,7S)-5-(acetyloxymethyl)-2-(3-acetyloxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
IUPAC Name:   [(E)-2-[(1S,2S,7S)-5-(acetyloxymethyl)-2-(3-acetyloxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
Synonyms:  
Molecular Formula:   C29H40O8
Standard InCHIKey:  RVXIDAKARLZMMV-ATIRDTRSSA-N
Standard InCHI:  InChI=1S/C29H40O8/c1-18(2)15-27(33)35-14-11-25-24(16-20(5)30)28(34)23(17-36-21(6)31)9-12-29(25,8)13-10-26(19(3)4)37-22(7)32/h9,11,14-15,24-26H,3,10,12-13,16-17H2,1-2,4-8H3/b14-11+/t24-,25-,26?,29+/m0/s1
Canonical SMILES:  CC(=O)OCC1=CC[C@]([C@H]([C@@H](C1=O)CC(=O)C)/C=C/OC(=O)C=C(C)C)(C)CCC(C(=C)C)OC(=O)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
NPO18814 Viburnum odoratissimum Species Adoxaceae Eukaryota leaves and flowers PMID[14738390]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2477 Cell Line NUGC-3 Homo sapiens Survival = 0 % 14738390
NPT2 Others Unspecified Survival = 0 % 14738390

  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 NPC478144 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
0.9756 High Similarity NPC478145
0.9186 High Similarity NPC145666
0.8876 High Similarity NPC65829
0.8293 Intermediate Similarity NPC244166
0.8242 Intermediate Similarity NPC284185
0.8214 Intermediate Similarity NPC128276
0.8182 Intermediate Similarity NPC33570
0.8182 Intermediate Similarity NPC21471
0.814 Intermediate Similarity NPC42470
0.814 Intermediate Similarity NPC471325
0.8132 Intermediate Similarity NPC253144
0.8095 Intermediate Similarity NPC57744
0.8046 Intermediate Similarity NPC85772
0.8043 Intermediate Similarity NPC74103
0.8043 Intermediate Similarity NPC123177
0.8043 Intermediate Similarity NPC70595
0.8043 Intermediate Similarity NPC150978
0.8 Intermediate Similarity NPC53844
0.7979 Intermediate Similarity NPC474490
0.7978 Intermediate Similarity NPC261380
0.7955 Intermediate Similarity NPC318468
0.7931 Intermediate Similarity NPC25684
0.7931 Intermediate Similarity NPC281949
0.7931 Intermediate Similarity NPC301477
0.7907 Intermediate Similarity NPC469690
0.7907 Intermediate Similarity NPC178277
0.7907 Intermediate Similarity NPC469620
0.7889 Intermediate Similarity NPC38576
0.7889 Intermediate Similarity NPC474045
0.7889 Intermediate Similarity NPC261253
0.7889 Intermediate Similarity NPC107787
0.7889 Intermediate Similarity NPC261721
0.7889 Intermediate Similarity NPC279859
0.7882 Intermediate Similarity NPC470240
0.7882 Intermediate Similarity NPC65603
0.7882 Intermediate Similarity NPC476794
0.7872 Intermediate Similarity NPC470697
0.7872 Intermediate Similarity NPC167219
0.7872 Intermediate Similarity NPC148463
0.7835 Intermediate Similarity NPC54705
0.7826 Intermediate Similarity NPC280833
0.7805 Intermediate Similarity NPC469660
0.7791 Intermediate Similarity NPC253749
0.7778 Intermediate Similarity NPC96621
0.7778 Intermediate Similarity NPC161957
0.7778 Intermediate Similarity NPC189311
0.7778 Intermediate Similarity NPC78089
0.7753 Intermediate Similarity NPC475947
0.7753 Intermediate Similarity NPC193198
0.7753 Intermediate Similarity NPC215294
0.7753 Intermediate Similarity NPC475989
0.7742 Intermediate Similarity NPC51486
0.7738 Intermediate Similarity NPC294434
0.7738 Intermediate Similarity NPC117746
0.7738 Intermediate Similarity NPC15499
0.7738 Intermediate Similarity NPC259599
0.7732 Intermediate Similarity NPC54843
0.7732 Intermediate Similarity NPC141191
0.7717 Intermediate Similarity NPC469653
0.7717 Intermediate Similarity NPC469631
0.7717 Intermediate Similarity NPC471047
0.7717 Intermediate Similarity NPC469628
0.7717 Intermediate Similarity NPC475906
0.7708 Intermediate Similarity NPC185553
0.7701 Intermediate Similarity NPC264227
0.7701 Intermediate Similarity NPC472965
0.7701 Intermediate Similarity NPC63649
0.7692 Intermediate Similarity NPC70555
0.7692 Intermediate Similarity NPC70422
0.7692 Intermediate Similarity NPC469483
0.7692 Intermediate Similarity NPC104961
0.7692 Intermediate Similarity NPC220478
0.7667 Intermediate Similarity NPC474359
0.7667 Intermediate Similarity NPC115786
0.7667 Intermediate Similarity NPC149869
0.766 Intermediate Similarity NPC473944
0.766 Intermediate Similarity NPC221282
0.7647 Intermediate Similarity NPC138408
0.7647 Intermediate Similarity NPC226669
0.7647 Intermediate Similarity NPC193351
0.764 Intermediate Similarity NPC35556
0.764 Intermediate Similarity NPC200513
0.7634 Intermediate Similarity NPC284561
0.7629 Intermediate Similarity NPC47834
0.7629 Intermediate Similarity NPC169205
0.7629 Intermediate Similarity NPC2049
0.7619 Intermediate Similarity NPC470237
0.7614 Intermediate Similarity NPC302426
0.7604 Intermediate Similarity NPC48803
0.7604 Intermediate Similarity NPC209355
0.7604 Intermediate Similarity NPC193645
0.7604 Intermediate Similarity NPC90121
0.7604 Intermediate Similarity NPC275960
0.7586 Intermediate Similarity NPC471220
0.7586 Intermediate Similarity NPC299235
0.7582 Intermediate Similarity NPC177932
0.7582 Intermediate Similarity NPC11804
0.7582 Intermediate Similarity NPC125290
0.7576 Intermediate Similarity NPC168319
0.7576 Intermediate Similarity NPC194028
0.7558 Intermediate Similarity NPC27205
0.7558 Intermediate Similarity NPC472967
0.7558 Intermediate Similarity NPC40353
0.7558 Intermediate Similarity NPC266159
0.7556 Intermediate Similarity NPC474703
0.7556 Intermediate Similarity NPC53867
0.7556 Intermediate Similarity NPC39588
0.7556 Intermediate Similarity NPC16488
0.7556 Intermediate Similarity NPC222358
0.7553 Intermediate Similarity NPC471818
0.7553 Intermediate Similarity NPC8062
0.7551 Intermediate Similarity NPC316598
0.7529 Intermediate Similarity NPC140287
0.7529 Intermediate Similarity NPC476355
0.7529 Intermediate Similarity NPC474758
0.7528 Intermediate Similarity NPC325031
0.7528 Intermediate Similarity NPC275507
0.7527 Intermediate Similarity NPC226863
0.75 Intermediate Similarity NPC471299
0.75 Intermediate Similarity NPC476415
0.75 Intermediate Similarity NPC84893
0.75 Intermediate Similarity NPC469676
0.75 Intermediate Similarity NPC182550
0.75 Intermediate Similarity NPC315395
0.75 Intermediate Similarity NPC53685
0.75 Intermediate Similarity NPC476596
0.75 Intermediate Similarity NPC316426
0.75 Intermediate Similarity NPC150646
0.7474 Intermediate Similarity NPC261607
0.7474 Intermediate Similarity NPC111114
0.7474 Intermediate Similarity NPC300312
0.7474 Intermediate Similarity NPC219874
0.7474 Intermediate Similarity NPC177037
0.7474 Intermediate Similarity NPC472814
0.7473 Intermediate Similarity NPC475100
0.7471 Intermediate Similarity NPC476325
0.7471 Intermediate Similarity NPC476264
0.7471 Intermediate Similarity NPC97516
0.7449 Intermediate Similarity NPC477949
0.7449 Intermediate Similarity NPC202705
0.7447 Intermediate Similarity NPC5509
0.7444 Intermediate Similarity NPC173609
0.7444 Intermediate Similarity NPC474291
0.7442 Intermediate Similarity NPC329826
0.7442 Intermediate Similarity NPC469414
0.7426 Intermediate Similarity NPC110989
0.7423 Intermediate Similarity NPC476487
0.7423 Intermediate Similarity NPC33473
0.7423 Intermediate Similarity NPC476488
0.7416 Intermediate Similarity NPC223904
0.7416 Intermediate Similarity NPC74673
0.7416 Intermediate Similarity NPC6823
0.7416 Intermediate Similarity NPC69271
0.7416 Intermediate Similarity NPC304795
0.7412 Intermediate Similarity NPC472956
0.7412 Intermediate Similarity NPC474705
0.7404 Intermediate Similarity NPC137911
0.7404 Intermediate Similarity NPC47951
0.7404 Intermediate Similarity NPC477102
0.7404 Intermediate Similarity NPC228477
0.74 Intermediate Similarity NPC206079
0.7396 Intermediate Similarity NPC476598
0.7396 Intermediate Similarity NPC476597
0.7396 Intermediate Similarity NPC469692
0.7396 Intermediate Similarity NPC115021
0.7396 Intermediate Similarity NPC469645
0.7391 Intermediate Similarity NPC155873
0.7391 Intermediate Similarity NPC197903
0.7391 Intermediate Similarity NPC165162
0.7391 Intermediate Similarity NPC65661
0.7391 Intermediate Similarity NPC99395
0.7391 Intermediate Similarity NPC474547
0.7386 Intermediate Similarity NPC192006
0.7379 Intermediate Similarity NPC473911
0.7368 Intermediate Similarity NPC161638
0.7368 Intermediate Similarity NPC473448
0.7368 Intermediate Similarity NPC101651
0.7368 Intermediate Similarity NPC77337
0.7368 Intermediate Similarity NPC62815
0.7368 Intermediate Similarity NPC253177
0.7368 Intermediate Similarity NPC213636
0.7368 Intermediate Similarity NPC159748
0.7368 Intermediate Similarity NPC469372
0.7368 Intermediate Similarity NPC280592
0.7363 Intermediate Similarity NPC161045
0.7363 Intermediate Similarity NPC475622
0.7363 Intermediate Similarity NPC108045
0.7363 Intermediate Similarity NPC170377
0.7356 Intermediate Similarity NPC266119
0.7356 Intermediate Similarity NPC235906
0.7356 Intermediate Similarity NPC474447
0.7356 Intermediate Similarity NPC123360
0.7353 Intermediate Similarity NPC309190
0.7353 Intermediate Similarity NPC470297
0.7353 Intermediate Similarity NPC203659
0.7349 Intermediate Similarity NPC218477
0.7347 Intermediate Similarity NPC242848
0.7347 Intermediate Similarity NPC9812
0.734 Intermediate Similarity NPC472302
0.734 Intermediate Similarity NPC475902

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478144 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
0.7841 Intermediate Similarity NPD5209 Approved
0.7742 Intermediate Similarity NPD5785 Approved
0.764 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD1694 Approved
0.7241 Intermediate Similarity NPD8039 Approved
0.7204 Intermediate Similarity NPD5363 Approved
0.717 Intermediate Similarity NPD6371 Approved
0.7 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7154 Phase 3
0.6947 Remote Similarity NPD5330 Approved
0.6947 Remote Similarity NPD6409 Approved
0.6947 Remote Similarity NPD5786 Approved
0.6947 Remote Similarity NPD7521 Approved
0.6947 Remote Similarity NPD7146 Approved
0.6947 Remote Similarity NPD7334 Approved
0.6947 Remote Similarity NPD6684 Approved
0.6887 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6882 Remote Similarity NPD4270 Approved
0.6882 Remote Similarity NPD4269 Approved
0.6837 Remote Similarity NPD6698 Approved
0.6837 Remote Similarity NPD46 Approved
0.6804 Remote Similarity NPD6903 Approved
0.6804 Remote Similarity NPD6672 Approved
0.6804 Remote Similarity NPD5737 Approved
0.6804 Remote Similarity NPD7513 Clinical (unspecified phase)
0.68 Remote Similarity NPD5282 Discontinued
0.68 Remote Similarity NPD7901 Clinical (unspecified phase)
0.68 Remote Similarity NPD7900 Approved
0.6786 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5369 Approved
0.6768 Remote Similarity NPD6411 Approved
0.67 Remote Similarity NPD5778 Approved
0.67 Remote Similarity NPD5779 Approved
0.6699 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD4252 Approved
0.6667 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD7838 Discovery
0.6637 Remote Similarity NPD7115 Discovery
0.6634 Remote Similarity NPD7748 Approved
0.6632 Remote Similarity NPD5362 Discontinued
0.6602 Remote Similarity NPD7902 Approved
0.66 Remote Similarity NPD5693 Phase 1
0.66 Remote Similarity NPD7983 Approved
0.6566 Remote Similarity NPD6101 Approved
0.6566 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1695 Approved
0.6538 Remote Similarity NPD7638 Approved
0.6535 Remote Similarity NPD6399 Phase 3
0.6531 Remote Similarity NPD3573 Approved
0.6526 Remote Similarity NPD6435 Approved
0.6476 Remote Similarity NPD7639 Approved
0.6476 Remote Similarity NPD7640 Approved
0.6436 Remote Similarity NPD7515 Phase 2
0.64 Remote Similarity NPD6080 Approved
0.64 Remote Similarity NPD6673 Approved
0.64 Remote Similarity NPD6904 Approved
0.6381 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7839 Suspended
0.6344 Remote Similarity NPD4756 Discovery
0.6339 Remote Similarity NPD6650 Approved
0.6339 Remote Similarity NPD6649 Approved
0.6327 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5368 Approved
0.6316 Remote Similarity NPD4695 Discontinued
0.6316 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6084 Phase 2
0.6286 Remote Similarity NPD6083 Phase 2
0.6283 Remote Similarity NPD6053 Discontinued
0.6279 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6275 Remote Similarity NPD7637 Suspended
0.6275 Remote Similarity NPD6050 Approved
0.6275 Remote Similarity NPD5694 Approved
0.625 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD5695 Phase 3
0.6238 Remote Similarity NPD6051 Approved
0.6216 Remote Similarity NPD6881 Approved
0.6216 Remote Similarity NPD6899 Approved
0.62 Remote Similarity NPD4251 Approved
0.62 Remote Similarity NPD4250 Approved
0.6186 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6176 Remote Similarity NPD5692 Phase 3
0.6176 Remote Similarity NPD5207 Approved
0.6161 Remote Similarity NPD6373 Approved
0.6161 Remote Similarity NPD6372 Approved
0.6146 Remote Similarity NPD4821 Approved
0.6146 Remote Similarity NPD4819 Approved
0.6146 Remote Similarity NPD4820 Approved
0.6146 Remote Similarity NPD4822 Approved
0.614 Remote Similarity NPD8297 Approved
0.614 Remote Similarity NPD6882 Approved
0.6139 Remote Similarity NPD5208 Approved
0.6126 Remote Similarity NPD5697 Approved
0.6126 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6122 Remote Similarity NPD5332 Approved
0.6122 Remote Similarity NPD5331 Approved
0.6117 Remote Similarity NPD6079 Approved
0.6106 Remote Similarity NPD7290 Approved
0.6106 Remote Similarity NPD6883 Approved
0.6106 Remote Similarity NPD7102 Approved
0.6105 Remote Similarity NPD4268 Approved
0.6105 Remote Similarity NPD4271 Approved
0.61 Remote Similarity NPD4249 Approved
0.61 Remote Similarity NPD6098 Approved
0.6082 Remote Similarity NPD4790 Discontinued
0.6078 Remote Similarity NPD5370 Suspended
0.6078 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5696 Approved
0.6071 Remote Similarity NPD6011 Approved
0.6061 Remote Similarity NPD3133 Approved
0.6061 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3666 Approved
0.6061 Remote Similarity NPD3665 Phase 1
0.6053 Remote Similarity NPD6869 Approved
0.6053 Remote Similarity NPD6847 Approved
0.6053 Remote Similarity NPD6617 Approved
0.6053 Remote Similarity NPD8130 Phase 1
0.6038 Remote Similarity NPD7732 Phase 3
0.6036 Remote Similarity NPD6402 Approved
0.6036 Remote Similarity NPD7128 Approved
0.6036 Remote Similarity NPD5739 Approved
0.6036 Remote Similarity NPD6675 Approved
0.6019 Remote Similarity NPD6648 Approved
0.6018 Remote Similarity NPD6012 Approved
0.6018 Remote Similarity NPD6014 Approved
0.6018 Remote Similarity NPD6013 Approved
0.5965 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5963 Remote Similarity NPD5344 Discontinued
0.5962 Remote Similarity NPD5281 Approved
0.5962 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5284 Approved
0.5955 Remote Similarity NPD7331 Phase 2
0.5952 Remote Similarity NPD7260 Phase 2
0.5941 Remote Similarity NPD3618 Phase 1
0.5941 Remote Similarity NPD4623 Approved
0.5941 Remote Similarity NPD4519 Discontinued
0.5941 Remote Similarity NPD5279 Phase 3
0.5941 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5929 Remote Similarity NPD7320 Approved
0.5922 Remote Similarity NPD5328 Approved
0.5917 Remote Similarity NPD6319 Approved
0.5909 Remote Similarity NPD7632 Discontinued
0.59 Remote Similarity NPD3668 Phase 3
0.59 Remote Similarity NPD4786 Approved
0.5893 Remote Similarity NPD6008 Approved
0.5888 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5888 Remote Similarity NPD5221 Approved
0.5888 Remote Similarity NPD5222 Approved
0.5877 Remote Similarity NPD6413 Approved
0.5859 Remote Similarity NPD3667 Approved
0.5856 Remote Similarity NPD6647 Phase 2
0.5849 Remote Similarity NPD6001 Approved
0.5847 Remote Similarity NPD6868 Approved
0.5843 Remote Similarity NPD7341 Phase 2
0.5841 Remote Similarity NPD6614 Approved
0.5841 Remote Similarity NPD5701 Approved
0.5833 Remote Similarity NPD5173 Approved
0.5826 Remote Similarity NPD2067 Discontinued
0.5816 Remote Similarity NPD8259 Clinical (unspecified phase)
0.581 Remote Similarity NPD8035 Phase 2
0.581 Remote Similarity NPD8034 Phase 2
0.5804 Remote Similarity NPD5909 Discontinued
0.5802 Remote Similarity NPD6927 Phase 3
0.5802 Remote Similarity NPD28 Approved
0.5802 Remote Similarity NPD29 Approved
0.58 Remote Similarity NPD6110 Phase 1
0.5798 Remote Similarity NPD7500 Approved
0.5794 Remote Similarity NPD4629 Approved
0.5794 Remote Similarity NPD5654 Approved
0.5794 Remote Similarity NPD5210 Approved
0.5794 Remote Similarity NPD7319 Approved
0.5789 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5690 Phase 2
0.5784 Remote Similarity NPD6422 Discontinued
0.5776 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5776 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5776 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5769 Remote Similarity NPD4753 Phase 2
0.5766 Remote Similarity NPD5211 Phase 2
0.575 Remote Similarity NPD6335 Approved
0.5741 Remote Similarity NPD4697 Phase 3
0.5741 Remote Similarity NPD7614 Phase 1
0.5739 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5738 Remote Similarity NPD7503 Approved
0.573 Remote Similarity NPD3197 Phase 1
0.5727 Remote Similarity NPD5286 Approved
0.5727 Remote Similarity NPD5285 Approved
0.5727 Remote Similarity NPD4696 Approved
0.5726 Remote Similarity NPD7492 Approved
0.5714 Remote Similarity NPD6052 Approved
0.5702 Remote Similarity NPD6412 Phase 2
0.5702 Remote Similarity NPD7100 Approved
0.5702 Remote Similarity NPD7101 Approved
0.57 Remote Similarity NPD4223 Phase 3
0.57 Remote Similarity NPD4221 Approved
0.5699 Remote Similarity NPD4691 Approved
0.5688 Remote Similarity NPD5959 Approved
0.5686 Remote Similarity NPD5329 Approved

Structure

External Identifiers

PubChem CID   10029533
ChEMBL   CHEMBL480285
ZINC  

Physicochemical Properties

Molecular Weight:  516.27
ALogP:  2.1394
MLogP:  3.77
XLogP:  3.747
# Rotatable Bonds:  22
Polar Surface Area:  113.04
# H-Bond Aceptor:  8
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  37

Download Data

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Biological Activities  
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