Natural Product: NPC265921

Natural Product ID:  NPC265921
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H22O2
Standard InCHIKey:  ISFMXVMWEWLJGJ-PAPYEOQZSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12+,14+,15-/m1/s1
Canonical SMILES:  CC(=C1C[C@]23O[C@]1(O)C=C([C@@H]3CC[C@H]2C)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
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota Rhizomes PMID[23755850]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO31384 Thuja orientalis Species Cupressaceae Eukaryota HerDing*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota HerDing*
NPO29538 Curcumae radix NA NA NA TCMSP*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TCMID*
NPO2048 Rhizoma curcumae NA NA NA TCMID*
NPO17751 Rhizoma wenyujin concisum NA NA NA TCMID*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 52200 nM 23755850

  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 NPC265921 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
1.0 High Similarity NPC85831
1.0 High Similarity NPC215215
0.9583 High Similarity NPC470944
0.9306 High Similarity NPC152017
0.8205 Intermediate Similarity NPC204270
0.8148 Intermediate Similarity NPC116613
0.8101 Intermediate Similarity NPC186072
0.8 Intermediate Similarity NPC15978
0.7857 Intermediate Similarity NPC474832
0.7722 Intermediate Similarity NPC476439
0.7674 Intermediate Similarity NPC299527
0.7619 Intermediate Similarity NPC287015
0.7619 Intermediate Similarity NPC146850
0.7561 Intermediate Similarity NPC59994
0.7561 Intermediate Similarity NPC78677
0.75 Intermediate Similarity NPC474693
0.75 Intermediate Similarity NPC63111
0.7432 Intermediate Similarity NPC205618
0.7432 Intermediate Similarity NPC261782
0.7432 Intermediate Similarity NPC469326
0.7412 Intermediate Similarity NPC471185
0.7412 Intermediate Similarity NPC473659
0.7412 Intermediate Similarity NPC474694
0.7412 Intermediate Similarity NPC475860
0.7375 Intermediate Similarity NPC476317
0.7368 Intermediate Similarity NPC224532
0.7317 Intermediate Similarity NPC17550
0.7294 Intermediate Similarity NPC290052
0.7284 Intermediate Similarity NPC103987
0.7284 Intermediate Similarity NPC53581
0.7273 Intermediate Similarity NPC474900
0.7273 Intermediate Similarity NPC144647
0.7237 Intermediate Similarity NPC136813
0.7222 Intermediate Similarity NPC469321
0.7209 Intermediate Similarity NPC119001
0.7195 Intermediate Similarity NPC4436
0.7183 Intermediate Similarity NPC278550
0.7176 Intermediate Similarity NPC471340
0.7176 Intermediate Similarity NPC472473
0.7162 Intermediate Similarity NPC474480
0.7159 Intermediate Similarity NPC475991
0.7159 Intermediate Similarity NPC471952
0.7125 Intermediate Similarity NPC309178
0.7108 Intermediate Similarity NPC476701
0.7105 Intermediate Similarity NPC230107
0.7089 Intermediate Similarity NPC471660
0.7079 Intermediate Similarity NPC205548
0.7045 Intermediate Similarity NPC191283
0.7037 Intermediate Similarity NPC113639
0.7027 Intermediate Similarity NPC210346
0.7024 Intermediate Similarity NPC206062
0.7024 Intermediate Similarity NPC76054
0.7013 Intermediate Similarity NPC59442
0.7013 Intermediate Similarity NPC477791
0.7011 Intermediate Similarity NPC147921
0.7011 Intermediate Similarity NPC470658
0.7 Intermediate Similarity NPC234527
0.7 Intermediate Similarity NPC301969
0.7 Intermediate Similarity NPC37607
0.7 Intermediate Similarity NPC14352
0.7 Intermediate Similarity NPC471184
0.6986 Remote Similarity NPC5698
0.6962 Remote Similarity NPC471781
0.6962 Remote Similarity NPC129630
0.6951 Remote Similarity NPC310643
0.6941 Remote Similarity NPC471661
0.6941 Remote Similarity NPC246621
0.6941 Remote Similarity NPC472471
0.6923 Remote Similarity NPC167527
0.6923 Remote Similarity NPC470040
0.6914 Remote Similarity NPC471659
0.6897 Remote Similarity NPC156485
0.6892 Remote Similarity NPC323153
0.6892 Remote Similarity NPC135648
0.6892 Remote Similarity NPC252809
0.6892 Remote Similarity NPC66020
0.6883 Remote Similarity NPC267027
0.6883 Remote Similarity NPC162309
0.6882 Remote Similarity NPC52044
0.6882 Remote Similarity NPC67584
0.6867 Remote Similarity NPC477426
0.6867 Remote Similarity NPC477427
0.6867 Remote Similarity NPC471454
0.6867 Remote Similarity NPC477425
0.6867 Remote Similarity NPC474826
0.686 Remote Similarity NPC109938
0.686 Remote Similarity NPC122945
0.6854 Remote Similarity NPC45957
0.6854 Remote Similarity NPC471657
0.6848 Remote Similarity NPC272293
0.6848 Remote Similarity NPC40821
0.6848 Remote Similarity NPC32862
0.6842 Remote Similarity NPC300593
0.6842 Remote Similarity NPC221615
0.6835 Remote Similarity NPC304690
0.6835 Remote Similarity NPC74722
0.6829 Remote Similarity NPC313185
0.6824 Remote Similarity NPC190008
0.6824 Remote Similarity NPC472470
0.6824 Remote Similarity NPC80622
0.6824 Remote Similarity NPC10636
0.6818 Remote Similarity NPC274448
0.6813 Remote Similarity NPC470817
0.6809 Remote Similarity NPC213078
0.68 Remote Similarity NPC15152
0.6786 Remote Similarity NPC222210
0.6786 Remote Similarity NPC63445
0.6782 Remote Similarity NPC477667
0.6782 Remote Similarity NPC30502
0.6774 Remote Similarity NPC470010
0.6774 Remote Similarity NPC472467
0.6774 Remote Similarity NPC262133
0.6774 Remote Similarity NPC323008
0.6774 Remote Similarity NPC470013
0.6771 Remote Similarity NPC472826
0.6757 Remote Similarity NPC52431
0.6757 Remote Similarity NPC310228
0.675 Remote Similarity NPC316029
0.675 Remote Similarity NPC4299
0.6747 Remote Similarity NPC236228
0.6747 Remote Similarity NPC256720
0.6747 Remote Similarity NPC471658
0.6747 Remote Similarity NPC126969
0.6744 Remote Similarity NPC82986
0.6744 Remote Similarity NPC474759
0.6744 Remote Similarity NPC7505
0.6744 Remote Similarity NPC474752
0.6744 Remote Similarity NPC474683
0.6744 Remote Similarity NPC474731
0.6742 Remote Similarity NPC477668
0.6742 Remote Similarity NPC67493
0.6742 Remote Similarity NPC311163
0.6742 Remote Similarity NPC173917
0.6737 Remote Similarity NPC161493
0.6711 Remote Similarity NPC174956
0.6709 Remote Similarity NPC272961
0.6706 Remote Similarity NPC89128
0.6706 Remote Similarity NPC233295
0.6705 Remote Similarity NPC16887
0.6705 Remote Similarity NPC46320
0.6705 Remote Similarity NPC53011
0.6705 Remote Similarity NPC154893
0.6705 Remote Similarity NPC37005
0.6703 Remote Similarity NPC470819
0.6703 Remote Similarity NPC225283
0.6703 Remote Similarity NPC249408
0.6703 Remote Similarity NPC104129
0.6702 Remote Similarity NPC170120
0.6701 Remote Similarity NPC176406
0.6667 Remote Similarity NPC471610
0.6667 Remote Similarity NPC99487
0.6667 Remote Similarity NPC155521
0.6667 Remote Similarity NPC472465
0.6667 Remote Similarity NPC89555
0.6667 Remote Similarity NPC149224
0.6667 Remote Similarity NPC470541
0.6667 Remote Similarity NPC471662
0.6667 Remote Similarity NPC469328
0.6667 Remote Similarity NPC327815
0.6667 Remote Similarity NPC472254
0.6667 Remote Similarity NPC37816
0.6667 Remote Similarity NPC64742
0.6667 Remote Similarity NPC472954
0.6667 Remote Similarity NPC476703
0.6667 Remote Similarity NPC59646
0.6667 Remote Similarity NPC235126
0.6667 Remote Similarity NPC242419
0.6667 Remote Similarity NPC240506
0.6633 Remote Similarity NPC471482
0.6633 Remote Similarity NPC471889
0.6633 Remote Similarity NPC300399
0.6632 Remote Similarity NPC98165
0.663 Remote Similarity NPC472466
0.663 Remote Similarity NPC3436
0.6629 Remote Similarity NPC266511
0.6629 Remote Similarity NPC157257
0.6629 Remote Similarity NPC245434
0.6627 Remote Similarity NPC60818
0.6627 Remote Similarity NPC328104
0.6627 Remote Similarity NPC23231
0.6627 Remote Similarity NPC319090
0.6625 Remote Similarity NPC90115
0.6625 Remote Similarity NPC217570
0.6625 Remote Similarity NPC239373
0.6625 Remote Similarity NPC101622
0.6625 Remote Similarity NPC329989
0.6623 Remote Similarity NPC309300
0.6598 Remote Similarity NPC469864
0.6598 Remote Similarity NPC469872
0.6598 Remote Similarity NPC290802
0.6596 Remote Similarity NPC96541
0.6596 Remote Similarity NPC474338
0.6596 Remote Similarity NPC470521
0.6596 Remote Similarity NPC198853
0.6596 Remote Similarity NPC477131
0.6596 Remote Similarity NPC144202
0.6596 Remote Similarity NPC127019
0.6593 Remote Similarity NPC91248
0.6593 Remote Similarity NPC242448
0.6593 Remote Similarity NPC472378

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC265921 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
0.6818 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6591 Remote Similarity NPD5362 Discontinued
0.6591 Remote Similarity NPD6695 Phase 3
0.6579 Remote Similarity NPD368 Approved
0.6506 Remote Similarity NPD6924 Approved
0.6506 Remote Similarity NPD4784 Approved
0.6506 Remote Similarity NPD4785 Approved
0.6506 Remote Similarity NPD6926 Approved
0.6463 Remote Similarity NPD4243 Approved
0.6437 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6437 Remote Similarity NPD4819 Approved
0.6437 Remote Similarity NPD6930 Phase 2
0.6437 Remote Similarity NPD4821 Approved
0.6437 Remote Similarity NPD6931 Approved
0.6437 Remote Similarity NPD4822 Approved
0.6437 Remote Similarity NPD4820 Approved
0.6404 Remote Similarity NPD5332 Approved
0.6404 Remote Similarity NPD5331 Approved
0.6374 Remote Similarity NPD4249 Approved
0.6364 Remote Similarity NPD4790 Discontinued
0.6353 Remote Similarity NPD6933 Approved
0.6322 Remote Similarity NPD6929 Approved
0.6304 Remote Similarity NPD4251 Approved
0.6304 Remote Similarity NPD4250 Approved
0.6304 Remote Similarity NPD7524 Approved
0.6304 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7750 Discontinued
0.625 Remote Similarity NPD7514 Phase 3
0.6235 Remote Similarity NPD4190 Phase 3
0.6235 Remote Similarity NPD5275 Approved
0.6234 Remote Similarity NPD1145 Discontinued
0.6216 Remote Similarity NPD342 Phase 1
0.6207 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4268 Approved
0.6207 Remote Similarity NPD4271 Approved
0.617 Remote Similarity NPD6051 Approved
0.617 Remote Similarity NPD1695 Approved
0.6163 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6136 Remote Similarity NPD4195 Approved
0.6092 Remote Similarity NPD5776 Phase 2
0.6092 Remote Similarity NPD6925 Approved
0.6087 Remote Similarity NPD6893 Approved
0.6075 Remote Similarity NPD6053 Discontinued
0.6067 Remote Similarity NPD7509 Discontinued
0.6067 Remote Similarity NPD7525 Registered
0.6067 Remote Similarity NPD7332 Phase 2
0.6047 Remote Similarity NPD6942 Approved
0.6047 Remote Similarity NPD7339 Approved
0.6042 Remote Similarity NPD7087 Discontinued
0.6024 Remote Similarity NPD6922 Approved
0.6024 Remote Similarity NPD6923 Approved
0.6023 Remote Similarity NPD7145 Approved
0.6 Remote Similarity NPD6902 Approved
0.5952 Remote Similarity NPD7144 Approved
0.5952 Remote Similarity NPD7143 Approved
0.5938 Remote Similarity NPD5785 Approved
0.5934 Remote Similarity NPD4270 Approved
0.5934 Remote Similarity NPD4221 Approved
0.5934 Remote Similarity NPD4269 Approved
0.5934 Remote Similarity NPD4223 Phase 3
0.5926 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5909 Remote Similarity NPD6932 Approved
0.5905 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7152 Approved
0.5882 Remote Similarity NPD7151 Approved
0.5882 Remote Similarity NPD7150 Approved
0.5876 Remote Similarity NPD5693 Phase 1
0.5876 Remote Similarity NPD7637 Suspended
0.587 Remote Similarity NPD7154 Phase 3
0.5859 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5851 Remote Similarity NPD5786 Approved
0.5843 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5842 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5842 Remote Similarity NPD4225 Approved
0.5833 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5824 Remote Similarity NPD6898 Phase 1
0.5824 Remote Similarity NPD5369 Approved
0.5816 Remote Similarity NPD6399 Phase 3
0.5806 Remote Similarity NPD4197 Approved
0.5804 Remote Similarity NPD7327 Approved
0.5804 Remote Similarity NPD7328 Approved
0.58 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5795 Remote Similarity NPD1346 Approved
0.5789 Remote Similarity NPD8033 Approved
0.5784 Remote Similarity NPD7639 Approved
0.5784 Remote Similarity NPD7640 Approved
0.5778 Remote Similarity NPD6683 Phase 2
0.5773 Remote Similarity NPD5207 Approved
0.5761 Remote Similarity NPD6435 Approved
0.5752 Remote Similarity NPD7516 Approved
0.5745 Remote Similarity NPD5363 Approved
0.5745 Remote Similarity NPD5329 Approved
0.5729 Remote Similarity NPD4518 Approved
0.5728 Remote Similarity NPD5344 Discontinued
0.5714 Remote Similarity NPD5284 Approved
0.5714 Remote Similarity NPD5281 Approved
0.5714 Remote Similarity NPD4252 Approved
0.5714 Remote Similarity NPD4748 Discontinued
0.5702 Remote Similarity NPD8294 Approved
0.5702 Remote Similarity NPD8377 Approved
0.57 Remote Similarity NPD5695 Phase 3
0.5686 Remote Similarity NPD7638 Approved
0.5684 Remote Similarity NPD4693 Phase 3
0.5684 Remote Similarity NPD4694 Approved
0.5684 Remote Similarity NPD4138 Approved
0.5684 Remote Similarity NPD6098 Approved
0.5684 Remote Similarity NPD5280 Approved
0.5684 Remote Similarity NPD4690 Approved
0.5684 Remote Similarity NPD5690 Phase 2
0.5684 Remote Similarity NPD4688 Approved
0.5684 Remote Similarity NPD5205 Approved
0.5684 Remote Similarity NPD4689 Approved
0.5682 Remote Similarity NPD8264 Approved
0.5652 Remote Similarity NPD7503 Approved
0.5652 Remote Similarity NPD8378 Approved
0.5652 Remote Similarity NPD8380 Approved
0.5652 Remote Similarity NPD8296 Approved
0.5652 Remote Similarity NPD8379 Approved
0.5652 Remote Similarity NPD8335 Approved
0.5638 Remote Similarity NPD4786 Approved
0.5631 Remote Similarity NPD6648 Approved
0.5612 Remote Similarity NPD3168 Discontinued
0.5612 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5612 Remote Similarity NPD7838 Discovery
0.5612 Remote Similarity NPD6698 Approved
0.5612 Remote Similarity NPD46 Approved
0.56 Remote Similarity NPD6001 Approved
0.56 Remote Similarity NPD5282 Discontinued

Structure

External Identifiers

PubChem CID   11128245
ChEMBL   CHEMBL2386509
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  2.327
MLogP:  2.89
XLogP:  1.748
# Rotatable Bonds:  5
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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