Natural Product: NPC474760

Natural Product ID:  NPC474760
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C16H24O3
Standard InCHIKey:  KYCSEGOZBNEMHU-PPHZONQLSA-N
Standard InCHI:  InChI=1S/C16H24O3/c1-11-5-4-6-12(2)9-15-13(8-7-11)14(10-18-3)16(17)19-15/h5,9,13-15H,4,6-8,10H2,1-3H3/b11-5+,12-9+/t13-,14-,15+/m0/s1
Canonical SMILES:  COC[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(=C/CC/C(=C/2)/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
NPO30603 Saussurea lappa NA NA NA roots PMID[18579374]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 220 ug/ml 8759169
NPT83 Cell Line MCF7 Homo sapiens IC50 = 75.05 ug/ml 25284252

  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 NPC474760 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
0.9296 High Similarity NPC129665
0.8933 High Similarity NPC141789
0.8933 High Similarity NPC476028
0.8933 High Similarity NPC171204
0.8718 High Similarity NPC52861
0.8701 High Similarity NPC270126
0.8659 High Similarity NPC476803
0.8659 High Similarity NPC476805
0.8649 High Similarity NPC269206
0.8649 High Similarity NPC295633
0.8649 High Similarity NPC58956
0.8625 High Similarity NPC158756
0.8625 High Similarity NPC476804
0.859 High Similarity NPC281132
0.8553 High Similarity NPC235906
0.8519 High Similarity NPC470755
0.8514 High Similarity NPC163003
0.8462 Intermediate Similarity NPC167881
0.8462 Intermediate Similarity NPC89128
0.8462 Intermediate Similarity NPC98557
0.8442 Intermediate Similarity NPC97516
0.8421 Intermediate Similarity NPC155587
0.8415 Intermediate Similarity NPC469910
0.8313 Intermediate Similarity NPC266957
0.8293 Intermediate Similarity NPC255307
0.8289 Intermediate Similarity NPC140287
0.8289 Intermediate Similarity NPC476355
0.8272 Intermediate Similarity NPC131669
0.8272 Intermediate Similarity NPC474703
0.8272 Intermediate Similarity NPC169575
0.8272 Intermediate Similarity NPC475989
0.8272 Intermediate Similarity NPC473390
0.8272 Intermediate Similarity NPC475947
0.8272 Intermediate Similarity NPC40746
0.825 Intermediate Similarity NPC301477
0.825 Intermediate Similarity NPC281949
0.825 Intermediate Similarity NPC141810
0.825 Intermediate Similarity NPC25684
0.825 Intermediate Similarity NPC24417
0.8228 Intermediate Similarity NPC178277
0.8228 Intermediate Similarity NPC617
0.8214 Intermediate Similarity NPC475819
0.8205 Intermediate Similarity NPC57744
0.8193 Intermediate Similarity NPC305475
0.8193 Intermediate Similarity NPC50637
0.8193 Intermediate Similarity NPC475461
0.8171 Intermediate Similarity NPC96259
0.8171 Intermediate Similarity NPC191476
0.8171 Intermediate Similarity NPC114979
0.8171 Intermediate Similarity NPC141193
0.8161 Intermediate Similarity NPC476267
0.8148 Intermediate Similarity NPC89555
0.8148 Intermediate Similarity NPC229825
0.8118 Intermediate Similarity NPC475971
0.8101 Intermediate Similarity NPC471465
0.8101 Intermediate Similarity NPC128276
0.8101 Intermediate Similarity NPC196653
0.8077 Intermediate Similarity NPC123360
0.8072 Intermediate Similarity NPC78089
0.8049 Intermediate Similarity NPC59097
0.8049 Intermediate Similarity NPC318468
0.8046 Intermediate Similarity NPC475302
0.8025 Intermediate Similarity NPC475481
0.8025 Intermediate Similarity NPC79277
0.8025 Intermediate Similarity NPC471325
0.8023 Intermediate Similarity NPC469368
0.8023 Intermediate Similarity NPC474232
0.8 Intermediate Similarity NPC296522
0.8 Intermediate Similarity NPC144511
0.7976 Intermediate Similarity NPC150755
0.7976 Intermediate Similarity NPC469483
0.7976 Intermediate Similarity NPC107787
0.7975 Intermediate Similarity NPC320630
0.7975 Intermediate Similarity NPC41780
0.7975 Intermediate Similarity NPC7563
0.7975 Intermediate Similarity NPC187568
0.7975 Intermediate Similarity NPC476794
0.7975 Intermediate Similarity NPC116177
0.7975 Intermediate Similarity NPC65603
0.7975 Intermediate Similarity NPC470240
0.7955 Intermediate Similarity NPC140543
0.7955 Intermediate Similarity NPC471147
0.7949 Intermediate Similarity NPC138408
0.7949 Intermediate Similarity NPC193351
0.7949 Intermediate Similarity NPC226669
0.7931 Intermediate Similarity NPC284185
0.7927 Intermediate Similarity NPC85772
0.7907 Intermediate Similarity NPC166919
0.7895 Intermediate Similarity NPC472955
0.7875 Intermediate Similarity NPC267231
0.7875 Intermediate Similarity NPC108816
0.7875 Intermediate Similarity NPC93763
0.7865 Intermediate Similarity NPC475659
0.7848 Intermediate Similarity NPC474447
0.7841 Intermediate Similarity NPC165383
0.7821 Intermediate Similarity NPC15499
0.7821 Intermediate Similarity NPC259599
0.7821 Intermediate Similarity NPC474551
0.7821 Intermediate Similarity NPC117746
0.7821 Intermediate Similarity NPC294434
0.7821 Intermediate Similarity NPC474758
0.7816 Intermediate Similarity NPC179394
0.7816 Intermediate Similarity NPC475855
0.7816 Intermediate Similarity NPC312042
0.7816 Intermediate Similarity NPC253144
0.7816 Intermediate Similarity NPC144133
0.7805 Intermediate Similarity NPC42470
0.7805 Intermediate Similarity NPC470241
0.7778 Intermediate Similarity NPC19841
0.7778 Intermediate Similarity NPC182550
0.7778 Intermediate Similarity NPC230800
0.7778 Intermediate Similarity NPC473859
0.7765 Intermediate Similarity NPC279859
0.7765 Intermediate Similarity NPC38576
0.7763 Intermediate Similarity NPC199557
0.7738 Intermediate Similarity NPC115786
0.7738 Intermediate Similarity NPC159635
0.7733 Intermediate Similarity NPC194871
0.7727 Intermediate Similarity NPC150978
0.7727 Intermediate Similarity NPC70595
0.7727 Intermediate Similarity NPC74103
0.7727 Intermediate Similarity NPC123177
0.7722 Intermediate Similarity NPC329852
0.7722 Intermediate Similarity NPC324762
0.7711 Intermediate Similarity NPC35556
0.7711 Intermediate Similarity NPC173609
0.7701 Intermediate Similarity NPC151770
0.7692 Intermediate Similarity NPC135703
0.7692 Intermediate Similarity NPC474543
0.7692 Intermediate Similarity NPC238425
0.7692 Intermediate Similarity NPC472018
0.7692 Intermediate Similarity NPC471140
0.7683 Intermediate Similarity NPC223904
0.7683 Intermediate Similarity NPC276356
0.7667 Intermediate Similarity NPC471142
0.7667 Intermediate Similarity NPC477922
0.7662 Intermediate Similarity NPC69462
0.7654 Intermediate Similarity NPC474341
0.7654 Intermediate Similarity NPC218817
0.7654 Intermediate Similarity NPC11796
0.7647 Intermediate Similarity NPC261380
0.7647 Intermediate Similarity NPC38468
0.7647 Intermediate Similarity NPC165162
0.7647 Intermediate Similarity NPC50362
0.7647 Intermediate Similarity NPC33570
0.7647 Intermediate Similarity NPC319795
0.7647 Intermediate Similarity NPC21471
0.764 Intermediate Similarity NPC228451
0.764 Intermediate Similarity NPC125674
0.764 Intermediate Similarity NPC475838
0.7632 Intermediate Similarity NPC470256
0.7625 Intermediate Similarity NPC68819
0.7619 Intermediate Similarity NPC116543
0.7619 Intermediate Similarity NPC272814
0.7619 Intermediate Similarity NPC215294
0.7619 Intermediate Similarity NPC250315
0.7614 Intermediate Similarity NPC473619
0.7609 Intermediate Similarity NPC208233
0.7595 Intermediate Similarity NPC48641
0.7595 Intermediate Similarity NPC472966
0.759 Intermediate Similarity NPC39411
0.759 Intermediate Similarity NPC325031
0.759 Intermediate Similarity NPC207188
0.759 Intermediate Similarity NPC255580
0.7586 Intermediate Similarity NPC475906
0.7586 Intermediate Similarity NPC473715
0.7586 Intermediate Similarity NPC469631
0.7586 Intermediate Similarity NPC469628
0.7586 Intermediate Similarity NPC471047
0.7586 Intermediate Similarity NPC469653
0.7586 Intermediate Similarity NPC477128
0.7582 Intermediate Similarity NPC17585
0.7582 Intermediate Similarity NPC477921
0.7582 Intermediate Similarity NPC54731
0.7561 Intermediate Similarity NPC264227
0.7561 Intermediate Similarity NPC470239
0.7561 Intermediate Similarity NPC63649
0.7561 Intermediate Similarity NPC470244
0.7561 Intermediate Similarity NPC469690
0.7561 Intermediate Similarity NPC472965
0.7556 Intermediate Similarity NPC473316
0.7556 Intermediate Similarity NPC473330
0.7556 Intermediate Similarity NPC474247
0.7553 Intermediate Similarity NPC183571
0.7532 Intermediate Similarity NPC107130
0.7532 Intermediate Similarity NPC476591
0.7532 Intermediate Similarity NPC88877
0.7529 Intermediate Similarity NPC82297
0.7529 Intermediate Similarity NPC295799
0.7528 Intermediate Similarity NPC261607
0.7528 Intermediate Similarity NPC111114
0.7528 Intermediate Similarity NPC20713
0.7528 Intermediate Similarity NPC473321
0.7528 Intermediate Similarity NPC300312
0.7527 Intermediate Similarity NPC288876
0.75 Intermediate Similarity NPC472266
0.75 Intermediate Similarity NPC475690
0.75 Intermediate Similarity NPC469414
0.75 Intermediate Similarity NPC329826
0.75 Intermediate Similarity NPC244166

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474760 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
0.7647 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1695 Approved
0.7283 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD1694 Approved
0.7093 Intermediate Similarity NPD4269 Approved
0.7093 Intermediate Similarity NPD5209 Approved
0.7093 Intermediate Similarity NPD4270 Approved
0.7093 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD8039 Approved
0.7045 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD5785 Approved
0.7013 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7154 Phase 3
0.6977 Remote Similarity NPD5369 Approved
0.6966 Remote Similarity NPD5786 Approved
0.69 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6435 Approved
0.686 Remote Similarity NPD5790 Clinical (unspecified phase)
0.686 Remote Similarity NPD4252 Approved
0.6854 Remote Similarity NPD5363 Approved
0.6848 Remote Similarity NPD46 Approved
0.6848 Remote Similarity NPD6698 Approved
0.6818 Remote Similarity NPD5362 Discontinued
0.6774 Remote Similarity NPD7983 Approved
0.6702 Remote Similarity NPD5779 Approved
0.6702 Remote Similarity NPD5778 Approved
0.6701 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD4821 Approved
0.6667 Remote Similarity NPD4819 Approved
0.6667 Remote Similarity NPD4820 Approved
0.6667 Remote Similarity NPD5368 Approved
0.6667 Remote Similarity NPD4822 Approved
0.6628 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6628 Remote Similarity NPD4268 Approved
0.6628 Remote Similarity NPD4271 Approved
0.6593 Remote Similarity NPD4249 Approved
0.6559 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6101 Approved
0.6538 Remote Similarity NPD6371 Approved
0.6522 Remote Similarity NPD4251 Approved
0.6522 Remote Similarity NPD4250 Approved
0.6458 Remote Similarity NPD5282 Discontinued
0.6421 Remote Similarity NPD6411 Approved
0.6413 Remote Similarity NPD7521 Approved
0.6413 Remote Similarity NPD7334 Approved
0.6413 Remote Similarity NPD6409 Approved
0.6413 Remote Similarity NPD7146 Approved
0.6413 Remote Similarity NPD5330 Approved
0.6413 Remote Similarity NPD6684 Approved
0.6389 Remote Similarity NPD6927 Phase 3
0.6354 Remote Similarity NPD6399 Phase 3
0.6327 Remote Similarity NPD7839 Suspended
0.6277 Remote Similarity NPD6903 Approved
0.6277 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6264 Remote Similarity NPD5331 Approved
0.6264 Remote Similarity NPD5332 Approved
0.625 Remote Similarity NPD7637 Suspended
0.6222 Remote Similarity NPD4790 Discontinued
0.6211 Remote Similarity NPD5370 Suspended
0.619 Remote Similarity NPD6686 Approved
0.6168 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6146 Remote Similarity NPD7838 Discovery
0.6122 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6122 Remote Similarity NPD7900 Approved
0.6106 Remote Similarity NPD8513 Phase 3
0.6106 Remote Similarity NPD8515 Approved
0.6106 Remote Similarity NPD8516 Approved
0.6106 Remote Similarity NPD8517 Approved
0.6105 Remote Similarity NPD5737 Approved
0.6105 Remote Similarity NPD6672 Approved
0.6082 Remote Similarity NPD5693 Phase 1
0.6082 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6049 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6042 Remote Similarity NPD6051 Approved
0.604 Remote Similarity NPD7638 Approved
0.6036 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD5349 Clinical (unspecified phase)
0.598 Remote Similarity NPD7639 Approved
0.598 Remote Similarity NPD7640 Approved
0.5979 Remote Similarity NPD5207 Approved
0.5976 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5963 Remote Similarity NPD6053 Discontinued
0.5952 Remote Similarity NPD229 Approved
0.5946 Remote Similarity NPD28 Approved
0.5946 Remote Similarity NPD29 Approved
0.5943 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7902 Approved
0.59 Remote Similarity NPD5695 Phase 3
0.59 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5895 Remote Similarity NPD6422 Discontinued
0.5895 Remote Similarity NPD6098 Approved
0.5889 Remote Similarity NPD3732 Approved
0.5882 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5696 Approved
0.5875 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5872 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5872 Remote Similarity NPD2204 Approved
0.5854 Remote Similarity NPD3197 Phase 1
0.5851 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6008 Approved
0.5847 Remote Similarity NPD8074 Phase 3
0.5806 Remote Similarity NPD3667 Approved
0.5802 Remote Similarity NPD368 Approved
0.58 Remote Similarity NPD6001 Approved
0.58 Remote Similarity NPD7748 Approved
0.5789 Remote Similarity NPD3172 Approved
0.5784 Remote Similarity NPD6083 Phase 2
0.5784 Remote Similarity NPD6084 Phase 2
0.578 Remote Similarity NPD5955 Clinical (unspecified phase)
0.578 Remote Similarity NPD2067 Discontinued
0.5773 Remote Similarity NPD5208 Approved
0.5758 Remote Similarity NPD8034 Phase 2
0.5758 Remote Similarity NPD8035 Phase 2
0.5753 Remote Similarity NPD5343 Approved
0.5729 Remote Similarity NPD3618 Phase 1
0.5714 Remote Similarity NPD3196 Approved
0.5714 Remote Similarity NPD6673 Approved
0.5714 Remote Similarity NPD7331 Phase 2
0.5714 Remote Similarity NPD3195 Phase 2
0.5714 Remote Similarity NPD4266 Approved
0.5714 Remote Similarity NPD6904 Approved
0.5714 Remote Similarity NPD3194 Approved
0.5714 Remote Similarity NPD6080 Approved
0.5701 Remote Similarity NPD6402 Approved
0.5701 Remote Similarity NPD7128 Approved
0.5701 Remote Similarity NPD6675 Approved
0.5701 Remote Similarity NPD5739 Approved
0.5694 Remote Similarity NPD3174 Discontinued
0.5688 Remote Similarity NPD6373 Approved
0.5688 Remote Similarity NPD6372 Approved
0.5688 Remote Similarity NPD6413 Approved
0.5688 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5686 Remote Similarity NPD4228 Discovery
0.5684 Remote Similarity NPD4786 Approved
0.5684 Remote Similarity NPD3666 Approved
0.5684 Remote Similarity NPD3665 Phase 1
0.5684 Remote Similarity NPD3133 Approved
0.5684 Remote Similarity NPD3668 Phase 3
0.5673 Remote Similarity NPD6648 Approved
0.567 Remote Similarity NPD3573 Approved
0.5657 Remote Similarity NPD3673 Approved
0.5657 Remote Similarity NPD5692 Phase 3
0.5657 Remote Similarity NPD3672 Approved
0.5648 Remote Similarity NPD5697 Approved
0.5648 Remote Similarity NPD5701 Approved
0.5638 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5619 Remote Similarity NPD5344 Discontinued
0.5604 Remote Similarity NPD4756 Discovery
0.56 Remote Similarity NPD7515 Phase 2
0.56 Remote Similarity NPD5281 Approved
0.56 Remote Similarity NPD5694 Approved
0.56 Remote Similarity NPD5284 Approved
0.56 Remote Similarity NPD6050 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL481699
ZINC  

Physicochemical Properties

Molecular Weight:  264.17
ALogP:  1.8319
MLogP:  2.89
XLogP:  2.877
# Rotatable Bonds:  5
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  19

Download Data

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