Natural Product: NPC302506

Natural Product ID:  NPC302506
Common Name:   Saucerneol D
IUPAC Name:   (1S,2R)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol
Synonyms:   Saucerneol D
Molecular Formula:   C31H36O8
Standard InCHIKey:  BYTPMMJRDFCGKX-GJRFZWDISA-N
Standard InCHI:  InChI=1S/C31H36O8/c1-17-18(2)31(22-8-11-24-28(15-22)37-16-36-24)39-30(17)21-9-12-25(27(14-21)35-6)38-19(3)29(32)20-7-10-23(33-4)26(13-20)34-5/h7-15,17-19,29-32H,16H2,1-6H3/t17-,18-,19-,29-,30+,31+/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)c1ccc2c(c1)OCO2
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[18841903]
NPO20323 Saururus chinensis Species Saururaceae Eukaryota Roots PMID[24359277]
NPO26770 Pteris multifida Species Pteridaceae Eukaryota TCMID*
NPO20323 Saururus chinensis Species Saururaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 = 13000 nM 18841903
NPT65 Cell Line HepG2 Homo sapiens IC50 = 16000 nM 18841903
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 18841903
NPT2 Others Unspecified Ratio CC50/EC50 = 41.1 24359277
NPT2 Others Unspecified CC50 = 45000 nM 24359277
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 EC50 = 1090 nM 24359277

  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 NPC302506 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
0.9853 High Similarity NPC179521
0.971 High Similarity NPC93610
0.971 High Similarity NPC241846
0.9571 High Similarity NPC226153
0.9571 High Similarity NPC304048
0.9562 High Similarity NPC246947
0.9496 High Similarity NPC22150
0.9496 High Similarity NPC38041
0.9496 High Similarity NPC279298
0.9429 High Similarity NPC112861
0.9407 High Similarity NPC93783
0.9357 High Similarity NPC18979
0.9353 High Similarity NPC185307
0.9353 High Similarity NPC470950
0.9353 High Similarity NPC477898
0.9343 High Similarity NPC156376
0.9338 High Similarity NPC77861
0.9328 High Similarity NPC259742
0.9328 High Similarity NPC147616
0.9328 High Similarity NPC219671
0.9328 High Similarity NPC104077
0.9291 High Similarity NPC205796
0.9291 High Similarity NPC276753
0.9286 High Similarity NPC129417
0.9286 High Similarity NPC470235
0.9286 High Similarity NPC84181
0.9286 High Similarity NPC283995
0.9281 High Similarity NPC476356
0.9265 High Similarity NPC142547
0.9265 High Similarity NPC135777
0.9231 High Similarity NPC286235
0.9231 High Similarity NPC55158
0.9231 High Similarity NPC51328
0.9225 High Similarity NPC99183
0.922 High Similarity NPC43508
0.922 High Similarity NPC476301
0.9214 High Similarity NPC46092
0.9209 High Similarity NPC472711
0.9209 High Similarity NPC471908
0.9203 High Similarity NPC260842
0.9167 High Similarity NPC98624
0.9167 High Similarity NPC475224
0.9161 High Similarity NPC130449
0.9161 High Similarity NPC248132
0.9149 High Similarity NPC470097
0.9149 High Similarity NPC471415
0.9149 High Similarity NPC114119
0.9149 High Similarity NPC79429
0.9149 High Similarity NPC471667
0.9149 High Similarity NPC471063
0.9149 High Similarity NPC217635
0.9137 High Similarity NPC55793
0.9124 High Similarity NPC18576
0.9091 High Similarity NPC31325
0.9091 High Similarity NPC213074
0.9091 High Similarity NPC39657
0.9091 High Similarity NPC275284
0.9091 High Similarity NPC224674
0.9091 High Similarity NPC193473
0.9091 High Similarity NPC15956
0.9091 High Similarity NPC114505
0.9085 High Similarity NPC469586
0.9071 High Similarity NPC470372
0.9065 High Similarity NPC123526
0.9065 High Similarity NPC88640
0.9065 High Similarity NPC193666
0.9054 High Similarity NPC11411
0.9051 High Similarity NPC47181
0.9051 High Similarity NPC187194
0.9051 High Similarity NPC476411
0.9044 High Similarity NPC106739
0.9044 High Similarity NPC471505
0.903 High Similarity NPC158471
0.903 High Similarity NPC57119
0.903 High Similarity NPC226862
0.903 High Similarity NPC165128
0.9021 High Similarity NPC324492
0.9021 High Similarity NPC317053
0.9 High Similarity NPC226547
0.8993 High Similarity NPC470413
0.8993 High Similarity NPC138738
0.8986 High Similarity NPC174191
0.8986 High Similarity NPC184938
0.8986 High Similarity NPC101624
0.8978 High Similarity NPC169973
0.8966 High Similarity NPC95392
0.8966 High Similarity NPC55715
0.8966 High Similarity NPC35877
0.8958 High Similarity NPC320970
0.8958 High Similarity NPC328567
0.8958 High Similarity NPC320671
0.8958 High Similarity NPC327412
0.8921 High Similarity NPC172818
0.8921 High Similarity NPC199459
0.8921 High Similarity NPC177035
0.8921 High Similarity NPC52277
0.8921 High Similarity NPC25695
0.8913 High Similarity NPC90083
0.8913 High Similarity NPC170779
0.8897 High Similarity NPC233224
0.8897 High Similarity NPC270751
0.8897 High Similarity NPC271208
0.8889 High Similarity NPC470084
0.8881 High Similarity NPC473046
0.8881 High Similarity NPC118385
0.8881 High Similarity NPC213711
0.8881 High Similarity NPC472713
0.8881 High Similarity NPC40352
0.8881 High Similarity NPC472712
0.8881 High Similarity NPC187774
0.8873 High Similarity NPC60249
0.8873 High Similarity NPC253878
0.8865 High Similarity NPC46591
0.8865 High Similarity NPC291101
0.8865 High Similarity NPC177868
0.8865 High Similarity NPC266197
0.8865 High Similarity NPC106944
0.8857 High Similarity NPC469981
0.8857 High Similarity NPC185908
0.8857 High Similarity NPC283949
0.8857 High Similarity NPC101807
0.8849 High Similarity NPC150534
0.8841 High Similarity NPC25821
0.8836 High Similarity NPC470826
0.8836 High Similarity NPC470098
0.8836 High Similarity NPC473266
0.8836 High Similarity NPC44452
0.8832 High Similarity NPC476345
0.8832 High Similarity NPC40432
0.8832 High Similarity NPC161557
0.8832 High Similarity NPC228346
0.8832 High Similarity NPC115207
0.8832 High Similarity NPC27843
0.8832 High Similarity NPC82111
0.8832 High Similarity NPC158079
0.8832 High Similarity NPC227160
0.8832 High Similarity NPC7171
0.8819 High Similarity NPC180953
0.8819 High Similarity NPC286245
0.8819 High Similarity NPC181615
0.8819 High Similarity NPC272619
0.8816 High Similarity NPC7191
0.8816 High Similarity NPC149873
0.8811 High Similarity NPC113680
0.8811 High Similarity NPC278961
0.8811 High Similarity NPC298317
0.8811 High Similarity NPC185071
0.8811 High Similarity NPC12728
0.8811 High Similarity NPC265154
0.8811 High Similarity NPC255566
0.8803 High Similarity NPC471414
0.8803 High Similarity NPC76871
0.88 High Similarity NPC189730
0.8784 High Similarity NPC478268
0.8784 High Similarity NPC474442
0.8776 High Similarity NPC472710
0.8776 High Similarity NPC229882
0.8776 High Similarity NPC158635
0.8776 High Similarity NPC472709
0.8776 High Similarity NPC238140
0.8768 High Similarity NPC7744
0.8768 High Similarity NPC181049
0.8768 High Similarity NPC207400
0.8768 High Similarity NPC4940
0.8767 High Similarity NPC301961
0.8767 High Similarity NPC166584
0.8759 High Similarity NPC64201
0.8759 High Similarity NPC181079
0.8759 High Similarity NPC187998
0.8759 High Similarity NPC171550
0.8759 High Similarity NPC153739
0.8759 High Similarity NPC80600
0.8759 High Similarity NPC242807
0.8759 High Similarity NPC42300
0.8759 High Similarity NPC241522
0.8759 High Similarity NPC260397
0.8759 High Similarity NPC275950
0.8759 High Similarity NPC77040
0.8759 High Similarity NPC173308
0.8759 High Similarity NPC92164
0.8759 High Similarity NPC134764
0.8759 High Similarity NPC145305
0.8759 High Similarity NPC174495
0.8759 High Similarity NPC472024
0.8759 High Similarity NPC257582
0.8759 High Similarity NPC212890
0.8759 High Similarity NPC162193
0.875 High Similarity NPC25292
0.875 High Similarity NPC128208
0.875 High Similarity NPC473045
0.875 High Similarity NPC253015
0.875 High Similarity NPC471065
0.875 High Similarity NPC11258
0.875 High Similarity NPC21867
0.875 High Similarity NPC282703
0.875 High Similarity NPC45774
0.875 High Similarity NPC184733
0.875 High Similarity NPC129570
0.8741 High Similarity NPC189115
0.8741 High Similarity NPC472714

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302506 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
0.8312 Intermediate Similarity NPD4966 Approved
0.8312 Intermediate Similarity NPD4965 Approved
0.8312 Intermediate Similarity NPD4967 Phase 2
0.8288 Intermediate Similarity NPD6674 Discontinued
0.8235 Intermediate Similarity NPD3705 Approved
0.8217 Intermediate Similarity NPD7199 Phase 2
0.8205 Intermediate Similarity NPD6234 Discontinued
0.8188 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD3027 Phase 3
0.8117 Intermediate Similarity NPD37 Approved
0.8075 Intermediate Similarity NPD7228 Approved
0.8015 Intermediate Similarity NPD1357 Approved
0.8 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD1613 Approved
0.7986 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD7266 Discontinued
0.7887 Intermediate Similarity NPD2861 Phase 2
0.7836 Intermediate Similarity NPD5283 Phase 1
0.7808 Intermediate Similarity NPD5735 Approved
0.7771 Intermediate Similarity NPD7240 Approved
0.7763 Intermediate Similarity NPD5058 Phase 3
0.774 Intermediate Similarity NPD3620 Phase 2
0.774 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD7157 Approved
0.7714 Intermediate Similarity NPD1091 Approved
0.7708 Intermediate Similarity NPD4908 Phase 1
0.7708 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD3818 Discontinued
0.763 Intermediate Similarity NPD7843 Approved
0.7628 Intermediate Similarity NPD1653 Approved
0.761 Intermediate Similarity NPD8455 Phase 2
0.7603 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD1375 Discontinued
0.7545 Intermediate Similarity NPD7074 Phase 3
0.7534 Intermediate Similarity NPD7095 Approved
0.75 Intermediate Similarity NPD4060 Phase 1
0.75 Intermediate Similarity NPD2978 Approved
0.75 Intermediate Similarity NPD2977 Approved
0.7485 Intermediate Similarity NPD7054 Approved
0.7485 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD7097 Phase 1
0.7463 Intermediate Similarity NPD2684 Approved
0.7452 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD6355 Discontinued
0.7447 Intermediate Similarity NPD6516 Phase 2
0.7447 Intermediate Similarity NPD5846 Approved
0.744 Intermediate Similarity NPD7472 Approved
0.7439 Intermediate Similarity NPD8127 Discontinued
0.7434 Intermediate Similarity NPD5763 Approved
0.7434 Intermediate Similarity NPD5762 Approved
0.7431 Intermediate Similarity NPD8651 Approved
0.7426 Intermediate Similarity NPD228 Approved
0.7417 Intermediate Similarity NPD5588 Approved
0.7403 Intermediate Similarity NPD6331 Phase 2
0.7403 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4110 Phase 3
0.7383 Intermediate Similarity NPD4140 Approved
0.7365 Intermediate Similarity NPD6798 Discontinued
0.7361 Intermediate Similarity NPD5327 Phase 3
0.7355 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7685 Pre-registration
0.7351 Intermediate Similarity NPD4538 Approved
0.7351 Intermediate Similarity NPD4536 Approved
0.7351 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD1610 Phase 2
0.7338 Intermediate Similarity NPD4237 Approved
0.7338 Intermediate Similarity NPD4236 Phase 3
0.7329 Intermediate Similarity NPD6584 Phase 3
0.7326 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD5125 Phase 3
0.7324 Intermediate Similarity NPD5126 Approved
0.7315 Intermediate Similarity NPD6233 Phase 2
0.731 Intermediate Similarity NPD7808 Phase 3
0.7308 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD6166 Phase 2
0.7305 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD4628 Phase 3
0.7285 Intermediate Similarity NPD6653 Approved
0.7285 Intermediate Similarity NPD6353 Approved
0.7279 Intermediate Similarity NPD3021 Approved
0.7279 Intermediate Similarity NPD3022 Approved
0.7267 Intermediate Similarity NPD1558 Phase 1
0.7267 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD2161 Phase 2
0.7253 Intermediate Similarity NPD7680 Approved
0.7251 Intermediate Similarity NPD7251 Discontinued
0.7251 Intermediate Similarity NPD6559 Discontinued
0.7241 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2982 Phase 2
0.7241 Intermediate Similarity NPD2983 Phase 2
0.7239 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1934 Approved
0.7215 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD7028 Phase 2
0.7193 Intermediate Similarity NPD6797 Phase 2
0.719 Intermediate Similarity NPD5960 Phase 3
0.7186 Intermediate Similarity NPD3051 Approved
0.7178 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD5773 Approved
0.7178 Intermediate Similarity NPD5772 Approved
0.7176 Intermediate Similarity NPD5844 Phase 1
0.7172 Intermediate Similarity NPD2981 Phase 2
0.7162 Intermediate Similarity NPD3018 Phase 2
0.7152 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2969 Approved
0.7143 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2970 Approved
0.7134 Intermediate Similarity NPD2677 Approved
0.7133 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD3685 Discontinued
0.7123 Intermediate Similarity NPD6583 Phase 3
0.7123 Intermediate Similarity NPD6582 Phase 2
0.7122 Intermediate Similarity NPD5535 Approved
0.7115 Intermediate Similarity NPD4162 Approved
0.7115 Intermediate Similarity NPD3060 Approved
0.7114 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD4123 Phase 3
0.7105 Intermediate Similarity NPD3657 Discovery
0.7092 Intermediate Similarity NPD6671 Approved
0.7086 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD3687 Approved
0.7081 Intermediate Similarity NPD3686 Approved
0.7081 Intermediate Similarity NPD4210 Discontinued
0.7078 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4108 Discontinued
0.7078 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD8313 Approved
0.7069 Intermediate Similarity NPD8312 Approved
0.7063 Intermediate Similarity NPD7526 Approved
0.7063 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1548 Phase 1
0.7063 Intermediate Similarity NPD52 Approved
0.7063 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1608 Approved
0.7055 Intermediate Similarity NPD2231 Phase 2
0.7055 Intermediate Similarity NPD2235 Phase 2
0.7051 Intermediate Similarity NPD7037 Approved
0.703 Intermediate Similarity NPD2560 Approved
0.703 Intermediate Similarity NPD2563 Approved
0.703 Intermediate Similarity NPD3817 Phase 2
0.7027 Intermediate Similarity NPD3094 Phase 2
0.7025 Intermediate Similarity NPD5241 Discontinued
0.7025 Intermediate Similarity NPD6190 Approved
0.7007 Intermediate Similarity NPD4749 Approved
0.7007 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD290 Approved
0.7006 Intermediate Similarity NPD5177 Phase 3
0.7 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2489 Approved
0.7 Intermediate Similarity NPD27 Approved
0.6994 Remote Similarity NPD7007 Discovery
0.6993 Remote Similarity NPD4340 Discontinued
0.6993 Remote Similarity NPD5536 Phase 2
0.6988 Remote Similarity NPD3882 Suspended
0.6987 Remote Similarity NPD6005 Phase 3
0.6987 Remote Similarity NPD6002 Phase 3
0.6987 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6004 Phase 3
0.6987 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3092 Approved
0.6982 Remote Similarity NPD6071 Discontinued
0.6982 Remote Similarity NPD3787 Discontinued
0.6977 Remote Similarity NPD7804 Clinical (unspecified phase)
0.697 Remote Similarity NPD2801 Approved
0.6968 Remote Similarity NPD7033 Discontinued
0.6964 Remote Similarity NPD5494 Approved
0.6959 Remote Similarity NPD7473 Discontinued
0.6959 Remote Similarity NPD6696 Suspended
0.6954 Remote Similarity NPD4625 Phase 3
0.6946 Remote Similarity NPD5604 Discontinued
0.6946 Remote Similarity NPD7831 Phase 2
0.6946 Remote Similarity NPD7833 Phase 2
0.6946 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6934 Remote Similarity NPD968 Approved
0.6928 Remote Similarity NPD2238 Phase 2
0.6918 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7549 Discontinued
0.691 Remote Similarity NPD7906 Approved
0.6909 Remote Similarity NPD3383 Approved
0.6909 Remote Similarity NPD3384 Approved
0.6909 Remote Similarity NPD3382 Approved
0.6908 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6908 Remote Similarity NPD5110 Phase 2
0.6908 Remote Similarity NPD5109 Approved
0.6908 Remote Similarity NPD5111 Phase 2
0.6906 Remote Similarity NPD5451 Approved

Structure

External Identifiers

PubChem CID   44580018
ChEMBL   CHEMBL520077
ZINC  

Physicochemical Properties

Molecular Weight:  536.24
ALogP:  -1.1101
MLogP:  3.99
XLogP:  5.07
# Rotatable Bonds:  16
Polar Surface Area:  84.84
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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