Natural Product: NPC152017

Natural Product ID:  NPC152017
Common Name:   Isocurcumenol
IUPAC Name:  
Synonyms:   Isocurcumenol
Molecular Formula:   C15H22O2
Standard InCHIKey:  DEBDFZGNZTYPMF-JURCDPSOSA-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/h11-12,16H,3,5-8H2,1-2,4H3/t11-,12-,14-,15-/m0/s1
Canonical SMILES:  CC(=C1C[C@]23O[C@@]1(O)CC(=C)[C@@H]3CC[C@@H]2C)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
NPO33283 zedoariae rhizoma NA NA NA PMID[9871681]
NPO17780 Curcuma heyneana Species Zingiberaceae Eukaryota Rhizomes PMID[23387824]
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota Rhizomes PMID[23755850]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 77.3 % 9871681
NPT32 Organism Mus musculus Mus musculus Inhibition = 80.2 % 9871681
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 14.2 % 9871681
NPT32 Organism Mus musculus Mus musculus Inhibition = 36.5 % 9871681
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition < 65 % 23387824
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 9800 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 NPC152017 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
0.9306 High Similarity NPC265921
0.9306 High Similarity NPC215215
0.9306 High Similarity NPC85831
0.8933 High Similarity NPC470944
0.8333 Intermediate Similarity NPC204270
0.8272 Intermediate Similarity NPC116613
0.8228 Intermediate Similarity NPC186072
0.8125 Intermediate Similarity NPC15978
0.7791 Intermediate Similarity NPC299527
0.7738 Intermediate Similarity NPC287015
0.7738 Intermediate Similarity NPC146850
0.7639 Intermediate Similarity NPC63111
0.7619 Intermediate Similarity NPC290052
0.7568 Intermediate Similarity NPC261782
0.7568 Intermediate Similarity NPC469326
0.7568 Intermediate Similarity NPC205618
0.7558 Intermediate Similarity NPC474832
0.75 Intermediate Similarity NPC471184
0.7407 Intermediate Similarity NPC476439
0.7403 Intermediate Similarity NPC144647
0.7386 Intermediate Similarity NPC205548
0.7349 Intermediate Similarity NPC76054
0.7326 Intermediate Similarity NPC119001
0.7326 Intermediate Similarity NPC470658
0.7317 Intermediate Similarity NPC4436
0.7294 Intermediate Similarity NPC471340
0.7273 Intermediate Similarity NPC475991
0.7262 Intermediate Similarity NPC59994
0.7262 Intermediate Similarity NPC78677
0.7229 Intermediate Similarity NPC476701
0.7209 Intermediate Similarity NPC474693
0.7195 Intermediate Similarity NPC103987
0.7195 Intermediate Similarity NPC53581
0.7179 Intermediate Similarity NPC474900
0.7159 Intermediate Similarity NPC191283
0.7143 Intermediate Similarity NPC59442
0.7126 Intermediate Similarity NPC471185
0.7126 Intermediate Similarity NPC473659
0.7126 Intermediate Similarity NPC475860
0.7126 Intermediate Similarity NPC474694
0.7123 Intermediate Similarity NPC52431
0.7123 Intermediate Similarity NPC310228
0.7111 Intermediate Similarity NPC37607
0.7111 Intermediate Similarity NPC301969
0.7089 Intermediate Similarity NPC471781
0.7073 Intermediate Similarity NPC476317
0.7059 Intermediate Similarity NPC471661
0.7051 Intermediate Similarity NPC224532
0.7045 Intermediate Similarity NPC67493
0.7045 Intermediate Similarity NPC311163
0.7024 Intermediate Similarity NPC17550
0.7011 Intermediate Similarity NPC154893
0.7011 Intermediate Similarity NPC37005
0.7011 Intermediate Similarity NPC16887
0.7011 Intermediate Similarity NPC53011
0.7 Intermediate Similarity NPC104129
0.7 Intermediate Similarity NPC249408
0.6989 Remote Similarity NPC67584
0.6989 Remote Similarity NPC52044
0.6989 Remote Similarity NPC170120
0.6988 Remote Similarity NPC471454
0.6979 Remote Similarity NPC176406
0.6962 Remote Similarity NPC304690
0.6962 Remote Similarity NPC74722
0.6957 Remote Similarity NPC272293
0.6957 Remote Similarity NPC242419
0.6957 Remote Similarity NPC32862
0.6957 Remote Similarity NPC235126
0.6957 Remote Similarity NPC40821
0.6947 Remote Similarity NPC221615
0.6941 Remote Similarity NPC190008
0.6923 Remote Similarity NPC470817
0.6923 Remote Similarity NPC136813
0.6915 Remote Similarity NPC213078
0.6915 Remote Similarity NPC98165
0.6905 Remote Similarity NPC477089
0.6905 Remote Similarity NPC63445
0.6905 Remote Similarity NPC222210
0.6897 Remote Similarity NPC477667
0.6897 Remote Similarity NPC472473
0.6892 Remote Similarity NPC469321
0.6889 Remote Similarity NPC242448
0.6882 Remote Similarity NPC472467
0.6882 Remote Similarity NPC470013
0.6882 Remote Similarity NPC470010
0.6882 Remote Similarity NPC127019
0.6882 Remote Similarity NPC323008
0.6882 Remote Similarity NPC262133
0.6875 Remote Similarity NPC254845
0.6867 Remote Similarity NPC126969
0.6854 Remote Similarity NPC477668
0.6849 Remote Similarity NPC278550
0.6842 Remote Similarity NPC161493
0.6842 Remote Similarity NPC474480
0.6842 Remote Similarity NPC476893
0.6829 Remote Similarity NPC309178
0.6818 Remote Similarity NPC156485
0.6813 Remote Similarity NPC470819
0.6809 Remote Similarity NPC213698
0.6809 Remote Similarity NPC476894
0.6795 Remote Similarity NPC230107
0.679 Remote Similarity NPC471660
0.6786 Remote Similarity NPC476703
0.6782 Remote Similarity NPC472465
0.6774 Remote Similarity NPC470187
0.6771 Remote Similarity NPC476895
0.6747 Remote Similarity NPC60818
0.6747 Remote Similarity NPC113639
0.6747 Remote Similarity NPC23231
0.6744 Remote Similarity NPC80622
0.6744 Remote Similarity NPC10636
0.6744 Remote Similarity NPC206062
0.6742 Remote Similarity NPC300082
0.6742 Remote Similarity NPC147921
0.6742 Remote Similarity NPC204105
0.6742 Remote Similarity NPC284534
0.6742 Remote Similarity NPC471494
0.6739 Remote Similarity NPC197107
0.6739 Remote Similarity NPC472466
0.6735 Remote Similarity NPC300399
0.6735 Remote Similarity NPC471889
0.6735 Remote Similarity NPC471482
0.6711 Remote Similarity NPC210346
0.6711 Remote Similarity NPC15152
0.6709 Remote Similarity NPC477791
0.6707 Remote Similarity NPC14352
0.6707 Remote Similarity NPC234527
0.6703 Remote Similarity NPC471952
0.6703 Remote Similarity NPC91248
0.6703 Remote Similarity NPC79549
0.6702 Remote Similarity NPC477131
0.6702 Remote Similarity NPC474338
0.6702 Remote Similarity NPC144202
0.6702 Remote Similarity NPC198853
0.6667 Remote Similarity NPC170148
0.6667 Remote Similarity NPC256720
0.6667 Remote Similarity NPC471888
0.6667 Remote Similarity NPC249034
0.6667 Remote Similarity NPC128133
0.6667 Remote Similarity NPC471887
0.6667 Remote Similarity NPC471450
0.6667 Remote Similarity NPC246621
0.6667 Remote Similarity NPC472471
0.6667 Remote Similarity NPC472379
0.6667 Remote Similarity NPC133698
0.6667 Remote Similarity NPC236228
0.6667 Remote Similarity NPC94127
0.6667 Remote Similarity NPC131209
0.6667 Remote Similarity NPC129630
0.6667 Remote Similarity NPC471886
0.6667 Remote Similarity NPC177818
0.6667 Remote Similarity NPC5698
0.6667 Remote Similarity NPC310643
0.6667 Remote Similarity NPC470041
0.6667 Remote Similarity NPC471885
0.6667 Remote Similarity NPC472468
0.6667 Remote Similarity NPC26307
0.6633 Remote Similarity NPC150923
0.6633 Remote Similarity NPC476896
0.6633 Remote Similarity NPC474022
0.6632 Remote Similarity NPC220221
0.6632 Remote Similarity NPC469873
0.663 Remote Similarity NPC215556
0.6628 Remote Similarity NPC55304
0.6628 Remote Similarity NPC86971
0.6628 Remote Similarity NPC226226
0.6627 Remote Similarity NPC471659
0.6627 Remote Similarity NPC190859
0.6625 Remote Similarity NPC470040
0.6625 Remote Similarity NPC305698
0.6625 Remote Similarity NPC167527
0.6623 Remote Similarity NPC473508
0.66 Remote Similarity NPC472819
0.6598 Remote Similarity NPC64742
0.6598 Remote Similarity NPC244411
0.6598 Remote Similarity NPC470541
0.6598 Remote Similarity NPC309493
0.6596 Remote Similarity NPC135776
0.6596 Remote Similarity NPC258216
0.6596 Remote Similarity NPC27531
0.6593 Remote Similarity NPC471657
0.6593 Remote Similarity NPC45957
0.6591 Remote Similarity NPC109938
0.6591 Remote Similarity NPC122945
0.6588 Remote Similarity NPC474826
0.6588 Remote Similarity NPC477426
0.6588 Remote Similarity NPC84360
0.6588 Remote Similarity NPC477425
0.6588 Remote Similarity NPC477427
0.6585 Remote Similarity NPC469343
0.6582 Remote Similarity NPC469328
0.6582 Remote Similarity NPC311736
0.6582 Remote Similarity NPC267027
0.6582 Remote Similarity NPC162309
0.6579 Remote Similarity NPC323153
0.6579 Remote Similarity NPC135648
0.6579 Remote Similarity NPC252809
0.6579 Remote Similarity NPC66020
0.6566 Remote Similarity NPC37207
0.6559 Remote Similarity NPC295668

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC152017 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 NPD7338 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6695 Phase 3
0.6556 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6931 Approved
0.6552 Remote Similarity NPD6930 Phase 2
0.6484 Remote Similarity NPD4249 Approved
0.6437 Remote Similarity NPD6929 Approved
0.6413 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4250 Approved
0.6413 Remote Similarity NPD7750 Discontinued
0.6413 Remote Similarity NPD4251 Approved
0.6413 Remote Similarity NPD7524 Approved
0.6364 Remote Similarity NPD7514 Phase 3
0.6333 Remote Similarity NPD5362 Discontinued
0.6282 Remote Similarity NPD368 Approved
0.6277 Remote Similarity NPD1695 Approved
0.6235 Remote Similarity NPD4784 Approved
0.6235 Remote Similarity NPD6924 Approved
0.6235 Remote Similarity NPD4785 Approved
0.6235 Remote Similarity NPD6926 Approved
0.6207 Remote Similarity NPD5776 Phase 2
0.6207 Remote Similarity NPD6925 Approved
0.6196 Remote Similarity NPD6893 Approved
0.619 Remote Similarity NPD4243 Approved
0.618 Remote Similarity NPD4822 Approved
0.618 Remote Similarity NPD5790 Clinical (unspecified phase)
0.618 Remote Similarity NPD4819 Approved
0.618 Remote Similarity NPD4820 Approved
0.618 Remote Similarity NPD4821 Approved
0.618 Remote Similarity NPD7332 Phase 2
0.6154 Remote Similarity NPD5332 Approved
0.6154 Remote Similarity NPD5331 Approved
0.6154 Remote Similarity NPD1145 Discontinued
0.6146 Remote Similarity NPD7087 Discontinued
0.6136 Remote Similarity NPD7145 Approved
0.6111 Remote Similarity NPD6902 Approved
0.6111 Remote Similarity NPD4790 Discontinued
0.61 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6092 Remote Similarity NPD6933 Approved
0.6036 Remote Similarity NPD7327 Approved
0.6036 Remote Similarity NPD7328 Approved
0.6023 Remote Similarity NPD6932 Approved
0.6019 Remote Similarity NPD6053 Discontinued
0.6018 Remote Similarity NPD8033 Approved
0.6 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7516 Approved
0.5979 Remote Similarity NPD7637 Suspended
0.5977 Remote Similarity NPD5275 Approved
0.5977 Remote Similarity NPD4190 Phase 3
0.5955 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5955 Remote Similarity NPD4271 Approved
0.5955 Remote Similarity NPD4268 Approved
0.5938 Remote Similarity NPD6051 Approved
0.5934 Remote Similarity NPD6898 Phase 1
0.5929 Remote Similarity NPD8377 Approved
0.5929 Remote Similarity NPD8294 Approved
0.5926 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5921 Remote Similarity NPD342 Phase 1
0.5909 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4195 Approved
0.5889 Remote Similarity NPD6683 Phase 2
0.5882 Remote Similarity NPD7640 Approved
0.5882 Remote Similarity NPD7639 Approved
0.5877 Remote Similarity NPD8296 Approved
0.5877 Remote Similarity NPD8335 Approved
0.5877 Remote Similarity NPD8380 Approved
0.5877 Remote Similarity NPD8378 Approved
0.5877 Remote Similarity NPD8379 Approved
0.5876 Remote Similarity NPD6698 Approved
0.5876 Remote Similarity NPD46 Approved
0.5859 Remote Similarity NPD5282 Discontinued
0.5825 Remote Similarity NPD5344 Discontinued
0.5824 Remote Similarity NPD7509 Discontinued
0.5824 Remote Similarity NPD7525 Registered
0.5795 Remote Similarity NPD7339 Approved
0.5795 Remote Similarity NPD6942 Approved
0.5784 Remote Similarity NPD7638 Approved
0.5765 Remote Similarity NPD6922 Approved
0.5765 Remote Similarity NPD6923 Approved
0.5745 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5739 Remote Similarity NPD7503 Approved
0.5728 Remote Similarity NPD6648 Approved
0.5714 Remote Similarity NPD5785 Approved
0.5714 Remote Similarity NPD3168 Discontinued
0.5714 Remote Similarity NPD7838 Discovery
0.5699 Remote Similarity NPD4270 Approved
0.5699 Remote Similarity NPD4223 Phase 3
0.5699 Remote Similarity NPD4269 Approved
0.5699 Remote Similarity NPD4221 Approved
0.5698 Remote Similarity NPD7144 Approved
0.5698 Remote Similarity NPD7143 Approved
0.5688 Remote Similarity NPD6371 Approved
0.5678 Remote Similarity NPD7507 Approved
0.5663 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5657 Remote Similarity NPD5693 Phase 1
0.5652 Remote Similarity NPD4748 Discontinued
0.5652 Remote Similarity NPD6928 Phase 2
0.5648 Remote Similarity NPD6686 Approved
0.5644 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5638 Remote Similarity NPD7154 Phase 3
0.5632 Remote Similarity NPD7150 Approved
0.5632 Remote Similarity NPD7152 Approved
0.5632 Remote Similarity NPD7151 Approved
0.5631 Remote Similarity NPD4225 Approved
0.5625 Remote Similarity NPD5786 Approved
0.5604 Remote Similarity NPD5784 Clinical (unspecified phase)
0.56 Remote Similarity NPD6399 Phase 3
0.56 Remote Similarity NPD5778 Approved
0.56 Remote Similarity NPD5779 Approved

Structure

External Identifiers

PubChem CID   12310886
ChEMBL   CHEMBL2367911
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  1.9871
MLogP:  2.89
XLogP:  1.427
# Rotatable Bonds:  4
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

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Biological Activities  
Similar NPs/Drugs