Natural Product: NPC93783

Natural Product ID:  NPC93783
Common Name:   Saucerneol Methyl Ether
IUPAC Name:   (1R,2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
Synonyms:  
Molecular Formula:   C32H40O8
Standard InCHIKey:  JYXVAMLAJSGCDL-PLCQSOOISA-N
Standard InCHI:  InChI=1S/C32H40O8/c1-18-19(2)32(40-31(18)22-10-13-25(35-5)28(16-22)37-7)23-11-14-26(29(17-23)38-8)39-20(3)30(33)21-9-12-24(34-4)27(15-21)36-6/h9-20,30-33H,1-8H3/t18-,19-,20-,30+,31+,32+/m1/s1
Canonical SMILES:  COc1cc(ccc1O[C@@H]([C@@H](c1ccc(c(c1)OC)OC)O)C)[C@H]1O[C@@H]([C@@H]([C@H]1C)C)c1ccc(c(c1)OC)OC
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
NPO20323 Saururus chinensis Species Saururaceae Eukaryota Roots PMID[24359277]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2615 Cell Line HEK-293T Homo sapiens Survival > 80 % 23237840
NPT2 Others Unspecified CC50 = 110200 nM 8699183
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 EC50 = 1700 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 113 % 12670149
NPT2 Others Unspecified IC50 = 320 nM Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified Ratio CC50/EC50 = 65 22168134

  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 NPC93783 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
0.9771 High Similarity NPC260842
0.9769 High Similarity NPC77861
0.9624 High Similarity NPC470372
0.9407 High Similarity NPC302506
0.9343 High Similarity NPC181615
0.9302 High Similarity NPC470084
0.9275 High Similarity NPC241846
0.9275 High Similarity NPC93610
0.927 High Similarity NPC471415
0.927 High Similarity NPC470097
0.927 High Similarity NPC114119
0.927 High Similarity NPC179521
0.9259 High Similarity NPC266197
0.9259 High Similarity NPC55793
0.9259 High Similarity NPC291101
0.9209 High Similarity NPC327412
0.9209 High Similarity NPC320970
0.9209 High Similarity NPC99183
0.9209 High Similarity NPC328567
0.9209 High Similarity NPC320671
0.916 High Similarity NPC241522
0.916 High Similarity NPC257582
0.916 High Similarity NPC187998
0.916 High Similarity NPC153739
0.916 High Similarity NPC242807
0.916 High Similarity NPC64201
0.916 High Similarity NPC42300
0.916 High Similarity NPC145305
0.916 High Similarity NPC77040
0.916 High Similarity NPC174495
0.916 High Similarity NPC92164
0.9154 High Similarity NPC184733
0.9154 High Similarity NPC282703
0.9154 High Similarity NPC21867
0.9154 High Similarity NPC45774
0.9154 High Similarity NPC11258
0.9154 High Similarity NPC129570
0.9154 High Similarity NPC128208
0.9147 High Similarity NPC206882
0.9143 High Similarity NPC304048
0.9143 High Similarity NPC226153
0.9141 High Similarity NPC109822
0.9141 High Similarity NPC94276
0.9137 High Similarity NPC317053
0.9137 High Similarity NPC260397
0.9137 High Similarity NPC324492
0.9124 High Similarity NPC476356
0.9098 High Similarity NPC26394
0.9091 High Similarity NPC277804
0.9084 High Similarity NPC475875
0.9078 High Similarity NPC470098
0.9078 High Similarity NPC473266
0.9078 High Similarity NPC470826
0.9058 High Similarity NPC185307
0.9058 High Similarity NPC470950
0.9044 High Similarity NPC22517
0.9037 High Similarity NPC477939
0.9037 High Similarity NPC209985
0.9037 High Similarity NPC10737
0.9037 High Similarity NPC177160
0.9037 High Similarity NPC54743
0.9037 High Similarity NPC156502
0.9037 High Similarity NPC263367
0.9037 High Similarity NPC29799
0.903 High Similarity NPC187616
0.903 High Similarity NPC49603
0.903 High Similarity NPC193026
0.903 High Similarity NPC471942
0.9023 High Similarity NPC230219
0.9 High Similarity NPC58607
0.9 High Similarity NPC178284
0.9 High Similarity NPC191037
0.8993 High Similarity NPC470235
0.8993 High Similarity NPC283995
0.8993 High Similarity NPC129417
0.8993 High Similarity NPC471063
0.8986 High Similarity NPC246947
0.8984 High Similarity NPC71090
0.8951 High Similarity NPC324517
0.8951 High Similarity NPC329343
0.8951 High Similarity NPC321972
0.8947 High Similarity NPC161557
0.8947 High Similarity NPC469613
0.8947 High Similarity NPC228346
0.8947 High Similarity NPC7171
0.8947 High Similarity NPC469625
0.8947 High Similarity NPC30043
0.8947 High Similarity NPC158079
0.8947 High Similarity NPC40432
0.8947 High Similarity NPC27843
0.8947 High Similarity NPC115207
0.8939 High Similarity NPC86030
0.8939 High Similarity NPC5851
0.8931 High Similarity NPC183181
0.8931 High Similarity NPC165045
0.8931 High Similarity NPC118533
0.8931 High Similarity NPC118787
0.8931 High Similarity NPC163332
0.8931 High Similarity NPC41706
0.8931 High Similarity NPC147821
0.8931 High Similarity NPC319625
0.8931 High Similarity NPC111247
0.8931 High Similarity NPC292056
0.8929 High Similarity NPC279298
0.8929 High Similarity NPC476301
0.8929 High Similarity NPC22150
0.8929 High Similarity NPC38041
0.8929 High Similarity NPC43508
0.8923 High Similarity NPC194519
0.8923 High Similarity NPC148627
0.8921 High Similarity NPC46092
0.8913 High Similarity NPC472711
0.8906 High Similarity NPC126935
0.8906 High Similarity NPC312713
0.8906 High Similarity NPC216929
0.8906 High Similarity NPC57268
0.8906 High Similarity NPC172676
0.8906 High Similarity NPC65933
0.8889 High Similarity NPC287745
0.8889 High Similarity NPC478085
0.8889 High Similarity NPC326095
0.8889 High Similarity NPC244983
0.8881 High Similarity NPC18842
0.8881 High Similarity NPC181049
0.8881 High Similarity NPC207400
0.8881 High Similarity NPC4940
0.8872 High Similarity NPC469614
0.8872 High Similarity NPC469612
0.8865 High Similarity NPC112861
0.8865 High Similarity NPC276753
0.8865 High Similarity NPC205796
0.8864 High Similarity NPC252307
0.8864 High Similarity NPC245826
0.8864 High Similarity NPC72529
0.8864 High Similarity NPC474178
0.8857 High Similarity NPC79429
0.8857 High Similarity NPC217635
0.8857 High Similarity NPC471667
0.8849 High Similarity NPC67467
0.8846 High Similarity NPC293701
0.8846 High Similarity NPC114901
0.8846 High Similarity NPC48990
0.8841 High Similarity NPC309124
0.8841 High Similarity NPC184797
0.8832 High Similarity NPC477938
0.8815 High Similarity NPC158331
0.8803 High Similarity NPC213074
0.8803 High Similarity NPC15956
0.8803 High Similarity NPC193473
0.8803 High Similarity NPC224674
0.8803 High Similarity NPC275284
0.8803 High Similarity NPC31325
0.8803 High Similarity NPC39657
0.8803 High Similarity NPC114505
0.8797 High Similarity NPC190629
0.8797 High Similarity NPC210623
0.8797 High Similarity NPC218856
0.8797 High Similarity NPC470258
0.8797 High Similarity NPC285339
0.8797 High Similarity NPC273295
0.8797 High Similarity NPC226788
0.8797 High Similarity NPC3439
0.8797 High Similarity NPC202582
0.8797 High Similarity NPC222004
0.8794 High Similarity NPC18979
0.8788 High Similarity NPC98745
0.8788 High Similarity NPC5428
0.8786 High Similarity NPC477898
0.8777 High Similarity NPC471414
0.8777 High Similarity NPC178054
0.8777 High Similarity NPC263261
0.8777 High Similarity NPC87725
0.8777 High Similarity NPC311530
0.8769 High Similarity NPC317769
0.8769 High Similarity NPC31344
0.8769 High Similarity NPC471693
0.8768 High Similarity NPC473739
0.8768 High Similarity NPC232164
0.8768 High Similarity NPC156376
0.8768 High Similarity NPC236306
0.8759 High Similarity NPC471988
0.875 High Similarity NPC170694
0.875 High Similarity NPC187194
0.875 High Similarity NPC477612
0.875 High Similarity NPC475224
0.875 High Similarity NPC476411
0.875 High Similarity NPC67247
0.875 High Similarity NPC16485
0.8741 High Similarity NPC252402
0.8741 High Similarity NPC106739
0.8741 High Similarity NPC147616
0.8741 High Similarity NPC35932
0.8741 High Similarity NPC7903
0.8741 High Similarity NPC470752
0.8741 High Similarity NPC160991
0.8741 High Similarity NPC219671
0.8741 High Similarity NPC16208
0.8741 High Similarity NPC184447
0.8741 High Similarity NPC102934
0.8741 High Similarity NPC471505

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93783 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
0.8519 High Similarity NPD3027 Phase 3
0.8333 Intermediate Similarity NPD1613 Approved
0.8333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD2861 Phase 2
0.8203 Intermediate Similarity NPD5283 Phase 1
0.8125 Intermediate Similarity NPD7843 Approved
0.8077 Intermediate Similarity NPD7157 Approved
0.8071 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8071 Intermediate Similarity NPD3620 Phase 2
0.8043 Intermediate Similarity NPD4908 Phase 1
0.8043 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD5735 Approved
0.8 Intermediate Similarity NPD6674 Discontinued
0.7971 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7926 Intermediate Similarity NPD3705 Approved
0.7883 Intermediate Similarity NPD8651 Approved
0.7843 Intermediate Similarity NPD37 Approved
0.7834 Intermediate Similarity NPD7199 Phase 2
0.7812 Intermediate Similarity NPD2684 Approved
0.7806 Intermediate Similarity NPD4965 Approved
0.7806 Intermediate Similarity NPD4967 Phase 2
0.7806 Intermediate Similarity NPD4966 Approved
0.7785 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6516 Phase 2
0.7778 Intermediate Similarity NPD5846 Approved
0.7769 Intermediate Similarity NPD228 Approved
0.7755 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD7095 Approved
0.7724 Intermediate Similarity NPD5588 Approved
0.7722 Intermediate Similarity NPD8127 Discontinued
0.7707 Intermediate Similarity NPD6234 Discontinued
0.7704 Intermediate Similarity NPD1357 Approved
0.7703 Intermediate Similarity NPD6331 Phase 2
0.7692 Intermediate Similarity NPD4060 Phase 1
0.7681 Intermediate Similarity NPD5327 Phase 3
0.7664 Intermediate Similarity NPD1610 Phase 2
0.7655 Intermediate Similarity NPD4536 Approved
0.7655 Intermediate Similarity NPD4538 Approved
0.7655 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD6584 Phase 3
0.7639 Intermediate Similarity NPD6355 Discontinued
0.7635 Intermediate Similarity NPD4237 Approved
0.7635 Intermediate Similarity NPD4236 Phase 3
0.7625 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5763 Approved
0.7619 Intermediate Similarity NPD7266 Discontinued
0.7619 Intermediate Similarity NPD5762 Approved
0.7615 Intermediate Similarity NPD3021 Approved
0.7615 Intermediate Similarity NPD3022 Approved
0.76 Intermediate Similarity NPD5058 Phase 3
0.7593 Intermediate Similarity NPD7228 Approved
0.7584 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD4110 Phase 3
0.7578 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6166 Phase 2
0.7569 Intermediate Similarity NPD4140 Approved
0.7569 Intermediate Similarity NPD1558 Phase 1
0.7569 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD2983 Phase 2
0.7554 Intermediate Similarity NPD2982 Phase 2
0.7552 Intermediate Similarity NPD6798 Discontinued
0.7516 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1375 Discontinued
0.75 Intermediate Similarity NPD1934 Approved
0.75 Intermediate Similarity NPD6233 Phase 2
0.7483 Intermediate Similarity NPD5960 Phase 3
0.7482 Intermediate Similarity NPD2981 Phase 2
0.7468 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD4628 Phase 3
0.7466 Intermediate Similarity NPD6353 Approved
0.7466 Intermediate Similarity NPD6653 Approved
0.7465 Intermediate Similarity NPD3018 Phase 2
0.7453 Intermediate Similarity NPD3051 Approved
0.7452 Intermediate Similarity NPD8455 Phase 2
0.7452 Intermediate Similarity NPD5772 Approved
0.7452 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD5773 Approved
0.7432 Intermediate Similarity NPD2161 Phase 2
0.7431 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6582 Phase 2
0.7429 Intermediate Similarity NPD6583 Phase 3
0.7419 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD2677 Approved
0.7415 Intermediate Similarity NPD7097 Phase 1
0.7413 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1091 Approved
0.7407 Intermediate Similarity NPD2969 Approved
0.7407 Intermediate Similarity NPD2970 Approved
0.7407 Intermediate Similarity NPD6671 Approved
0.74 Intermediate Similarity NPD4162 Approved
0.74 Intermediate Similarity NPD3060 Approved
0.7397 Intermediate Similarity NPD3657 Discovery
0.7386 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD4123 Phase 3
0.7378 Intermediate Similarity NPD3818 Discontinued
0.7372 Intermediate Similarity NPD1548 Phase 1
0.7365 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD2231 Phase 2
0.7357 Intermediate Similarity NPD2235 Phase 2
0.7355 Intermediate Similarity NPD1653 Approved
0.7351 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD52 Approved
0.7338 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7526 Approved
0.7337 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7037 Approved
0.7333 Intermediate Similarity NPD5844 Phase 1
0.7328 Intermediate Similarity NPD290 Approved
0.7324 Intermediate Similarity NPD3094 Phase 2
0.7313 Intermediate Similarity NPD5535 Approved
0.7312 Intermediate Similarity NPD7831 Phase 2
0.7312 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7833 Phase 2
0.7305 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD4749 Approved
0.7305 Intermediate Similarity NPD7240 Approved
0.7303 Intermediate Similarity NPD5241 Discontinued
0.7299 Intermediate Similarity NPD5536 Phase 2
0.7296 Intermediate Similarity NPD2560 Approved
0.7296 Intermediate Similarity NPD2563 Approved
0.7289 Intermediate Similarity NPD7074 Phase 3
0.7286 Intermediate Similarity NPD3092 Approved
0.7285 Intermediate Similarity NPD5177 Phase 3
0.7267 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD27 Approved
0.7256 Intermediate Similarity NPD2489 Approved
0.7254 Intermediate Similarity NPD6696 Suspended
0.7252 Intermediate Similarity NPD968 Approved
0.7251 Intermediate Similarity NPD7906 Approved
0.725 Intermediate Similarity NPD3882 Suspended
0.7244 Intermediate Similarity NPD3686 Approved
0.7244 Intermediate Similarity NPD3687 Approved
0.7241 Intermediate Similarity NPD4625 Phase 3
0.7239 Intermediate Similarity NPD6071 Discontinued
0.7234 Intermediate Similarity NPD1608 Approved
0.7233 Intermediate Similarity NPD2977 Approved
0.7233 Intermediate Similarity NPD2978 Approved
0.7233 Intermediate Similarity NPD2801 Approved
0.7229 Intermediate Similarity NPD7054 Approved
0.7222 Intermediate Similarity NPD5494 Approved
0.7218 Intermediate Similarity NPD5451 Approved
0.7211 Intermediate Similarity NPD2238 Phase 2
0.7209 Intermediate Similarity NPD291 Approved
0.7202 Intermediate Similarity NPD7685 Pre-registration
0.7194 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD5110 Phase 2
0.7192 Intermediate Similarity NPD5109 Approved
0.7192 Intermediate Similarity NPD5111 Phase 2
0.719 Intermediate Similarity NPD6190 Approved
0.719 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD3817 Phase 2
0.7188 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7472 Approved
0.7179 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD4340 Discontinued
0.7161 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7808 Phase 3
0.7153 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD4624 Approved
0.7152 Intermediate Similarity NPD4678 Approved
0.7152 Intermediate Similarity NPD4675 Approved
0.7143 Intermediate Similarity NPD6815 Approved
0.7143 Intermediate Similarity NPD5126 Approved
0.7143 Intermediate Similarity NPD5125 Phase 3
0.7143 Intermediate Similarity NPD7265 Discontinued
0.7143 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD4210 Discontinued
0.7133 Intermediate Similarity NPD7033 Discontinued
0.7124 Intermediate Similarity NPD4535 Phase 3
0.7124 Intermediate Similarity NPD7466 Approved
0.7122 Intermediate Similarity NPD7741 Discontinued
0.7122 Intermediate Similarity NPD3091 Approved
0.7122 Intermediate Similarity NPD6580 Approved
0.7122 Intermediate Similarity NPD1182 Approved
0.7122 Intermediate Similarity NPD6581 Approved
0.7118 Intermediate Similarity NPD7311 Approved
0.7118 Intermediate Similarity NPD7313 Approved
0.7118 Intermediate Similarity NPD7310 Approved
0.7118 Intermediate Similarity NPD7312 Approved
0.7113 Intermediate Similarity NPD1840 Phase 2
0.7108 Intermediate Similarity NPD7473 Discontinued
0.7097 Intermediate Similarity NPD1774 Approved
0.7093 Intermediate Similarity NPD4663 Approved
0.7089 Intermediate Similarity NPD4005 Discontinued
0.7076 Intermediate Similarity NPD7309 Approved
0.7075 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5585 Approved
0.707 Intermediate Similarity NPD2122 Discontinued
0.7067 Intermediate Similarity NPD6895 Approved
0.7067 Intermediate Similarity NPD6896 Approved

Structure

External Identifiers

PubChem CID   10030510
ChEMBL   CHEMBL3105545
ZINC  

Physicochemical Properties

Molecular Weight:  552.27
ALogP:  -0.911
MLogP:  4.1
XLogP:  5.143
# Rotatable Bonds:  20
Polar Surface Area:  84.84
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  40

Download Data

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