Natural Product: NPC15714

Natural Product ID:  NPC15714
Common Name:   Acetyldeschloroelatol
IUPAC Name:   [(3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-yl] acetate
Synonyms:   Acetyldeschloroelatol
Molecular Formula:   C17H25BrO2
Standard InCHIKey:  NQXXGYWRUKNVOU-ZOBUZTSGSA-N
Standard InCHI:  InChI=1S/C17H25BrO2/c1-11-6-8-17(9-7-11)12(2)10-14(20-13(3)19)15(18)16(17,4)5/h6,14-15H,2,7-10H2,1,3-5H3/t14-,15-,17-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1CC(=C)[C@@]2(C([C@H]1Br)(C)C)CCC(=CC2)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
NPO18850 Aplysia dactylomela Species Aplysiidae Eukaryota PMID[16309323]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 > 58000 nM 26034885
NPT1171 Cell Line HEp-2 Homo sapiens IC50 > 58000 nM 26034885
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 58000 nM 26034885

  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 NPC15714 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
0.9241 High Similarity NPC282598
0.8333 Intermediate Similarity NPC474946
0.8333 Intermediate Similarity NPC35397
0.7931 Intermediate Similarity NPC76909
0.7831 Intermediate Similarity NPC113024
0.7805 Intermediate Similarity NPC274750
0.7805 Intermediate Similarity NPC215307
0.7738 Intermediate Similarity NPC311891
0.7711 Intermediate Similarity NPC153987
0.7711 Intermediate Similarity NPC31330
0.7711 Intermediate Similarity NPC44083
0.7683 Intermediate Similarity NPC283619
0.7614 Intermediate Similarity NPC109900
0.7558 Intermediate Similarity NPC132386
0.7529 Intermediate Similarity NPC195334
0.7529 Intermediate Similarity NPC25554
0.7529 Intermediate Similarity NPC290495
0.7529 Intermediate Similarity NPC108476
0.7529 Intermediate Similarity NPC142163
0.75 Intermediate Similarity NPC100906
0.7442 Intermediate Similarity NPC286786
0.7442 Intermediate Similarity NPC471218
0.7442 Intermediate Similarity NPC256112
0.7412 Intermediate Similarity NPC269791
0.7381 Intermediate Similarity NPC35574
0.7326 Intermediate Similarity NPC473420
0.7303 Intermediate Similarity NPC474970
0.7294 Intermediate Similarity NPC242767
0.7209 Intermediate Similarity NPC469802
0.7209 Intermediate Similarity NPC233332
0.7191 Intermediate Similarity NPC35933
0.7191 Intermediate Similarity NPC191965
0.7159 Intermediate Similarity NPC52108
0.7159 Intermediate Similarity NPC139206
0.7159 Intermediate Similarity NPC474789
0.7143 Intermediate Similarity NPC188896
0.7126 Intermediate Similarity NPC170303
0.7111 Intermediate Similarity NPC264127
0.7111 Intermediate Similarity NPC84121
0.7111 Intermediate Similarity NPC6979
0.7111 Intermediate Similarity NPC9892
0.7111 Intermediate Similarity NPC137306
0.7111 Intermediate Similarity NPC102996
0.7111 Intermediate Similarity NPC325594
0.7111 Intermediate Similarity NPC10005
0.7111 Intermediate Similarity NPC329943
0.7111 Intermediate Similarity NPC286153
0.7111 Intermediate Similarity NPC91525
0.7108 Intermediate Similarity NPC71152
0.7093 Intermediate Similarity NPC158565
0.7079 Intermediate Similarity NPC96055
0.7079 Intermediate Similarity NPC306951
0.7079 Intermediate Similarity NPC139566
0.7065 Intermediate Similarity NPC246028
0.7059 Intermediate Similarity NPC189206
0.7045 Intermediate Similarity NPC73882
0.7033 Intermediate Similarity NPC102640
0.7033 Intermediate Similarity NPC46912
0.7033 Intermediate Similarity NPC162107
0.7033 Intermediate Similarity NPC478104
0.7011 Intermediate Similarity NPC268827
0.7 Intermediate Similarity NPC476602
0.7 Intermediate Similarity NPC474013
0.6989 Remote Similarity NPC474728
0.6977 Remote Similarity NPC184737
0.6977 Remote Similarity NPC4827
0.6966 Remote Similarity NPC222358
0.6966 Remote Similarity NPC476927
0.6966 Remote Similarity NPC470948
0.6962 Remote Similarity NPC474768
0.6957 Remote Similarity NPC472220
0.6957 Remote Similarity NPC224145
0.6957 Remote Similarity NPC97884
0.6957 Remote Similarity NPC470613
0.6957 Remote Similarity NPC470612
0.6957 Remote Similarity NPC477128
0.6957 Remote Similarity NPC473879
0.6957 Remote Similarity NPC69713
0.6951 Remote Similarity NPC92801
0.6941 Remote Similarity NPC476607
0.6941 Remote Similarity NPC41017
0.6932 Remote Similarity NPC159148
0.6932 Remote Similarity NPC327002
0.6932 Remote Similarity NPC475665
0.6932 Remote Similarity NPC476101
0.6923 Remote Similarity NPC329692
0.6923 Remote Similarity NPC73038
0.6923 Remote Similarity NPC473226
0.6923 Remote Similarity NPC471219
0.6915 Remote Similarity NPC285184
0.6915 Remote Similarity NPC26888
0.6915 Remote Similarity NPC77099
0.6915 Remote Similarity NPC49420
0.6915 Remote Similarity NPC60755
0.6915 Remote Similarity NPC470590
0.6914 Remote Similarity NPC208999
0.6897 Remote Similarity NPC83436
0.6897 Remote Similarity NPC327674
0.6889 Remote Similarity NPC312660
0.6889 Remote Similarity NPC102048
0.6889 Remote Similarity NPC100391
0.6882 Remote Similarity NPC475049
0.6882 Remote Similarity NPC470588
0.6882 Remote Similarity NPC261320
0.6882 Remote Similarity NPC73995
0.6882 Remote Similarity NPC224552
0.6882 Remote Similarity NPC239453
0.6882 Remote Similarity NPC473647
0.6875 Remote Similarity NPC299714
0.6875 Remote Similarity NPC257510
0.686 Remote Similarity NPC84868
0.686 Remote Similarity NPC472300
0.6854 Remote Similarity NPC178676
0.6848 Remote Similarity NPC245004
0.6848 Remote Similarity NPC131329
0.6848 Remote Similarity NPC166857
0.6848 Remote Similarity NPC473097
0.6848 Remote Similarity NPC174273
0.6842 Remote Similarity NPC240206
0.6842 Remote Similarity NPC473678
0.6829 Remote Similarity NPC22301
0.6818 Remote Similarity NPC474978
0.6818 Remote Similarity NPC473685
0.6818 Remote Similarity NPC195424
0.6818 Remote Similarity NPC281880
0.6813 Remote Similarity NPC323765
0.6813 Remote Similarity NPC109528
0.6809 Remote Similarity NPC328141
0.6809 Remote Similarity NPC120840
0.6809 Remote Similarity NPC280149
0.6809 Remote Similarity NPC152467
0.6809 Remote Similarity NPC113989
0.6809 Remote Similarity NPC48732
0.6809 Remote Similarity NPC220216
0.6809 Remote Similarity NPC221111
0.6809 Remote Similarity NPC175628
0.6809 Remote Similarity NPC471896
0.6809 Remote Similarity NPC111585
0.6809 Remote Similarity NPC78973
0.6809 Remote Similarity NPC148414
0.679 Remote Similarity NPC96962
0.6786 Remote Similarity NPC471799
0.6786 Remote Similarity NPC476609
0.6782 Remote Similarity NPC321514
0.6778 Remote Similarity NPC49208
0.6778 Remote Similarity NPC193198
0.6778 Remote Similarity NPC12283
0.6778 Remote Similarity NPC474193
0.6778 Remote Similarity NPC57370
0.6778 Remote Similarity NPC23748
0.6774 Remote Similarity NPC181225
0.6774 Remote Similarity NPC131453
0.6774 Remote Similarity NPC470629
0.6774 Remote Similarity NPC40552
0.6774 Remote Similarity NPC473242
0.6774 Remote Similarity NPC474512
0.6774 Remote Similarity NPC215831
0.6774 Remote Similarity NPC290690
0.6774 Remote Similarity NPC17733
0.6774 Remote Similarity NPC93411
0.6774 Remote Similarity NPC473229
0.6774 Remote Similarity NPC474845
0.6774 Remote Similarity NPC246708
0.6771 Remote Similarity NPC470697
0.6771 Remote Similarity NPC474922
0.6771 Remote Similarity NPC38830
0.6744 Remote Similarity NPC61080
0.6744 Remote Similarity NPC265588
0.6744 Remote Similarity NPC899
0.6744 Remote Similarity NPC476606
0.6744 Remote Similarity NPC92489
0.6742 Remote Similarity NPC474955
0.6739 Remote Similarity NPC82979
0.6739 Remote Similarity NPC202394
0.6739 Remote Similarity NPC155011
0.6739 Remote Similarity NPC195640
0.6739 Remote Similarity NPC131813
0.6739 Remote Similarity NPC220478
0.6737 Remote Similarity NPC186363
0.6737 Remote Similarity NPC124374
0.6737 Remote Similarity NPC233345
0.6737 Remote Similarity NPC234335
0.6737 Remote Similarity NPC477574
0.6737 Remote Similarity NPC177641
0.6707 Remote Similarity NPC96484
0.6706 Remote Similarity NPC471797
0.6706 Remote Similarity NPC166797
0.6706 Remote Similarity NPC243342
0.6706 Remote Similarity NPC477138
0.6706 Remote Similarity NPC104644
0.6706 Remote Similarity NPC306928
0.6705 Remote Similarity NPC305835
0.6705 Remote Similarity NPC47808
0.6705 Remote Similarity NPC129501
0.6703 Remote Similarity NPC30486
0.6703 Remote Similarity NPC302360
0.6703 Remote Similarity NPC46320
0.6702 Remote Similarity NPC50488
0.6702 Remote Similarity NPC20946
0.6702 Remote Similarity NPC314727

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15714 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
0.6739 Remote Similarity NPD5330 Approved
0.6739 Remote Similarity NPD7521 Approved
0.6739 Remote Similarity NPD6409 Approved
0.6739 Remote Similarity NPD7334 Approved
0.6739 Remote Similarity NPD6684 Approved
0.6739 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6598 Remote Similarity NPD7900 Approved
0.6598 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6598 Remote Similarity NPD7748 Approved
0.6596 Remote Similarity NPD6903 Approved
0.6596 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6526 Remote Similarity NPD6051 Approved
0.6517 Remote Similarity NPD7645 Phase 2
0.6489 Remote Similarity NPD3573 Approved
0.6484 Remote Similarity NPD3667 Approved
0.6452 Remote Similarity NPD1694 Approved
0.6437 Remote Similarity NPD7339 Approved
0.6437 Remote Similarity NPD6942 Approved
0.6421 Remote Similarity NPD5737 Approved
0.6421 Remote Similarity NPD6672 Approved
0.64 Remote Similarity NPD7902 Approved
0.6392 Remote Similarity NPD7515 Phase 2
0.6392 Remote Similarity NPD6411 Approved
0.6344 Remote Similarity NPD4786 Approved
0.6344 Remote Similarity NPD3668 Phase 3
0.6311 Remote Similarity NPD7632 Discontinued
0.6304 Remote Similarity NPD4752 Clinical (unspecified phase)
0.625 Remote Similarity NPD8039 Approved
0.622 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6216 Remote Similarity NPD6274 Approved
0.6211 Remote Similarity NPD3618 Phase 1
0.6211 Remote Similarity NPD6098 Approved
0.6186 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6101 Approved
0.6176 Remote Similarity NPD4225 Approved
0.6176 Remote Similarity NPD7638 Approved
0.6145 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6924 Approved
0.6136 Remote Similarity NPD6926 Approved
0.6132 Remote Similarity NPD6008 Approved
0.6117 Remote Similarity NPD7639 Approved
0.6117 Remote Similarity NPD7640 Approved
0.6087 Remote Similarity NPD7525 Registered
0.6082 Remote Similarity NPD5208 Approved
0.6067 Remote Similarity NPD8264 Approved
0.604 Remote Similarity NPD5695 Phase 3
0.604 Remote Similarity NPD6356 Clinical (unspecified phase)
0.602 Remote Similarity NPD6904 Approved
0.602 Remote Similarity NPD6080 Approved
0.602 Remote Similarity NPD5328 Approved
0.602 Remote Similarity NPD6673 Approved
0.6 Remote Similarity NPD6933 Approved
0.6 Remote Similarity NPD3665 Phase 1
0.6 Remote Similarity NPD5779 Approved
0.6 Remote Similarity NPD3666 Approved
0.6 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6 Remote Similarity NPD5778 Approved
0.6 Remote Similarity NPD3133 Approved
0.5981 Remote Similarity NPD6675 Approved
0.5981 Remote Similarity NPD7128 Approved
0.5981 Remote Similarity NPD5739 Approved
0.5981 Remote Similarity NPD6402 Approved
0.596 Remote Similarity NPD5207 Approved
0.596 Remote Similarity NPD5692 Phase 3
0.5941 Remote Similarity NPD6001 Approved
0.5938 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5701 Approved
0.5926 Remote Similarity NPD5697 Approved
0.5922 Remote Similarity NPD6084 Phase 2
0.5922 Remote Similarity NPD6083 Phase 2
0.5914 Remote Similarity NPD4748 Discontinued
0.5914 Remote Similarity NPD7509 Discontinued
0.5909 Remote Similarity NPD7151 Approved
0.5909 Remote Similarity NPD7152 Approved
0.5909 Remote Similarity NPD7150 Approved
0.59 Remote Similarity NPD5693 Phase 1
0.59 Remote Similarity NPD8034 Phase 2
0.59 Remote Similarity NPD5694 Approved
0.59 Remote Similarity NPD8035 Phase 2
0.59 Remote Similarity NPD7637 Suspended
0.59 Remote Similarity NPD6079 Approved
0.59 Remote Similarity NPD6050 Approved
0.5895 Remote Similarity NPD6695 Phase 3
0.5872 Remote Similarity NPD7320 Approved
0.5872 Remote Similarity NPD6899 Approved
0.5872 Remote Similarity NPD6881 Approved
0.5872 Remote Similarity NPD6011 Approved
0.5865 Remote Similarity NPD5696 Approved
0.5862 Remote Similarity NPD6923 Approved
0.5862 Remote Similarity NPD6922 Approved
0.5842 Remote Similarity NPD4202 Approved
0.5833 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5818 Remote Similarity NPD6013 Approved
0.5818 Remote Similarity NPD6373 Approved
0.5818 Remote Similarity NPD6012 Approved
0.5818 Remote Similarity NPD6014 Approved
0.5818 Remote Similarity NPD6372 Approved
0.5816 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5806 Remote Similarity NPD4195 Approved
0.5806 Remote Similarity NPD6929 Approved
0.5795 Remote Similarity NPD7143 Approved
0.5795 Remote Similarity NPD7144 Approved
0.5784 Remote Similarity NPD5707 Approved
0.5778 Remote Similarity NPD4785 Approved
0.5778 Remote Similarity NPD4784 Approved
0.5766 Remote Similarity NPD7102 Approved
0.5766 Remote Similarity NPD6883 Approved
0.5766 Remote Similarity NPD7290 Approved
0.5745 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5745 Remote Similarity NPD6931 Approved
0.5745 Remote Similarity NPD4695 Discontinued
0.5745 Remote Similarity NPD6930 Phase 2
0.573 Remote Similarity NPD4243 Approved
0.5714 Remote Similarity NPD6869 Approved
0.5714 Remote Similarity NPD6847 Approved
0.5714 Remote Similarity NPD6649 Approved
0.5714 Remote Similarity NPD8130 Phase 1
0.5714 Remote Similarity NPD6617 Approved
0.5714 Remote Similarity NPD6650 Approved
0.5714 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5279 Phase 3
0.57 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4697 Phase 3
0.5673 Remote Similarity NPD5221 Approved
0.5673 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5673 Remote Similarity NPD5222 Approved
0.5664 Remote Similarity NPD8297 Approved
0.5664 Remote Similarity NPD6882 Approved
0.5663 Remote Similarity NPD1145 Discontinued
0.566 Remote Similarity NPD6648 Approved
0.5657 Remote Similarity NPD7750 Discontinued
0.5657 Remote Similarity NPD7524 Approved
0.5625 Remote Similarity NPD4221 Approved
0.5625 Remote Similarity NPD4223 Phase 3
0.5619 Remote Similarity NPD5173 Approved
0.5619 Remote Similarity NPD4755 Approved
0.5607 Remote Similarity NPD5344 Discontinued
0.5603 Remote Similarity NPD7115 Discovery

Structure

External Identifiers

PubChem CID   11702874
ChEMBL   CHEMBL465758
ZINC  

Physicochemical Properties

Molecular Weight:  340.10
ALogP:  3.1857
MLogP:  3
XLogP:  4.589
# Rotatable Bonds:  7
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  20

Download Data

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