Natural Product: NPC39306

Natural Product ID:  NPC39306
Common Name:   Mulberrofuran Z
IUPAC Name:   5-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-5-methoxy-1-benzofuran-2-yl]-4-(3-methylbut-2-enyl)benzene-1,3-diol
Synonyms:   Mulberrofuran Z
Molecular Formula:   C30H36O5
Standard InCHIKey:  GXPANDQTASJGIX-RGVLZGJSSA-N
Standard InCHI:  InChI=1S/C30H36O5/c1-18(2)8-7-9-20(5)11-13-23-25-16-28(35-29(25)17-27(33)30(23)34-6)24-14-21(31)15-26(32)22(24)12-10-19(3)4/h8,10-11,14-17,31-33H,7,9,12-13H2,1-6H3/b20-11+
Canonical SMILES:  COc1c(O)cc2c(c1C/C=C(/CCC=C(C)C)C)cc(o2)c1cc(O)cc(c1CC=C(C)C)O
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
NPO9402 Morus mongolica Species Moraceae Eukaryota PMID[11429996]
NPO9402 Morus mongolica Species Moraceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT924 Cell Line HSC-2 Homo sapiens CC50 = 190000 nM 11429996

  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 NPC39306 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
0.9935 High Similarity NPC133065
0.9744 High Similarity NPC84515
0.9744 High Similarity NPC312056
0.9679 High Similarity NPC188486
0.9677 High Similarity NPC196879
0.9563 High Similarity NPC247136
0.9551 High Similarity NPC16935
0.9548 High Similarity NPC45131
0.95 High Similarity NPC247973
0.9497 High Similarity NPC36320
0.9497 High Similarity NPC45449
0.9434 High Similarity NPC39305
0.9434 High Similarity NPC59295
0.9434 High Similarity NPC263092
0.9434 High Similarity NPC1755
0.9434 High Similarity NPC1706
0.9375 High Similarity NPC37183
0.9375 High Similarity NPC291110
0.9371 High Similarity NPC238995
0.9371 High Similarity NPC272722
0.9363 High Similarity NPC241904
0.9363 High Similarity NPC300727
0.9355 High Similarity NPC125300
0.9329 High Similarity NPC227906
0.9325 High Similarity NPC174700
0.9317 High Similarity NPC277480
0.9313 High Similarity NPC475985
0.9308 High Similarity NPC40491
0.9308 High Similarity NPC278052
0.9304 High Similarity NPC476242
0.9299 High Similarity NPC274730
0.929 High Similarity NPC58668
0.929 High Similarity NPC106372
0.9268 High Similarity NPC476640
0.9268 High Similarity NPC310794
0.9268 High Similarity NPC473834
0.9268 High Similarity NPC82217
0.9268 High Similarity NPC216842
0.9259 High Similarity NPC50394
0.9255 High Similarity NPC326520
0.9245 High Similarity NPC228785
0.9245 High Similarity NPC14353
0.9245 High Similarity NPC320359
0.9245 High Similarity NPC56085
0.9231 High Similarity NPC207624
0.9231 High Similarity NPC142308
0.9212 High Similarity NPC287243
0.9207 High Similarity NPC230619
0.9207 High Similarity NPC54098
0.9198 High Similarity NPC170245
0.9193 High Similarity NPC236132
0.9193 High Similarity NPC7483
0.9193 High Similarity NPC270837
0.9187 High Similarity NPC61010
0.9182 High Similarity NPC195832
0.9182 High Similarity NPC100123
0.9177 High Similarity NPC472461
0.9172 High Similarity NPC89474
0.9167 High Similarity NPC193976
0.9167 High Similarity NPC115324
0.9167 High Similarity NPC23668
0.9157 High Similarity NPC49667
0.9157 High Similarity NPC8127
0.9152 High Similarity NPC30550
0.9146 High Similarity NPC476641
0.9146 High Similarity NPC131866
0.9141 High Similarity NPC86477
0.9141 High Similarity NPC470704
0.913 High Similarity NPC81679
0.913 High Similarity NPC294965
0.9125 High Similarity NPC475886
0.9125 High Similarity NPC200746
0.9125 High Similarity NPC474287
0.9119 High Similarity NPC165977
0.9119 High Similarity NPC36852
0.9119 High Similarity NPC262286
0.9119 High Similarity NPC469584
0.9119 High Similarity NPC217677
0.9119 High Similarity NPC472963
0.9119 High Similarity NPC236796
0.9114 High Similarity NPC213936
0.9114 High Similarity NPC297531
0.9114 High Similarity NPC20830
0.9114 High Similarity NPC148938
0.9114 High Similarity NPC256612
0.9114 High Similarity NPC208197
0.9108 High Similarity NPC101996
0.9102 High Similarity NPC77179
0.9102 High Similarity NPC23553
0.9085 High Similarity NPC211309
0.908 High Similarity NPC53640
0.908 High Similarity NPC39091
0.9074 High Similarity NPC236521
0.9074 High Similarity NPC152659
0.9074 High Similarity NPC248638
0.9074 High Similarity NPC220313
0.9068 High Similarity NPC474351
0.9068 High Similarity NPC475883
0.9068 High Similarity NPC474186
0.9068 High Similarity NPC474187
0.9068 High Similarity NPC66288
0.9062 High Similarity NPC329091
0.9057 High Similarity NPC138243
0.9057 High Similarity NPC472916
0.9057 High Similarity NPC142339
0.9057 High Similarity NPC180924
0.9057 High Similarity NPC472907
0.9053 High Similarity NPC228209
0.9051 High Similarity NPC250822
0.9051 High Similarity NPC160951
0.9051 High Similarity NPC276409
0.9051 High Similarity NPC280937
0.9051 High Similarity NPC176775
0.9051 High Similarity NPC206238
0.9051 High Similarity NPC167091
0.9051 High Similarity NPC231018
0.9051 High Similarity NPC183878
0.9051 High Similarity NPC69394
0.9051 High Similarity NPC22519
0.9051 High Similarity NPC145379
0.9051 High Similarity NPC75279
0.9051 High Similarity NPC88645
0.9051 High Similarity NPC274327
0.9051 High Similarity NPC292214
0.9051 High Similarity NPC255350
0.9051 High Similarity NPC271779
0.9051 High Similarity NPC47781
0.9051 High Similarity NPC235333
0.9048 High Similarity NPC476273
0.9048 High Similarity NPC183843
0.9045 High Similarity NPC202157
0.9045 High Similarity NPC171010
0.9038 High Similarity NPC102003
0.9038 High Similarity NPC92722
0.9036 High Similarity NPC65885
0.9036 High Similarity NPC277510
0.9036 High Similarity NPC261471
0.9032 High Similarity NPC17816
0.903 High Similarity NPC78830
0.903 High Similarity NPC218533
0.9024 High Similarity NPC126204
0.9018 High Similarity NPC473286
0.9018 High Similarity NPC275780
0.9018 High Similarity NPC29411
0.9018 High Similarity NPC472450
0.9018 High Similarity NPC239752
0.9012 High Similarity NPC25152
0.9012 High Similarity NPC472964
0.9006 High Similarity NPC139036
0.9006 High Similarity NPC476980
0.9006 High Similarity NPC119224
0.9 High Similarity NPC475267
0.9 High Similarity NPC210084
0.9 High Similarity NPC299520
0.9 High Similarity NPC472911
0.9 High Similarity NPC222814
0.9 High Similarity NPC245758
0.9 High Similarity NPC78225
0.9 High Similarity NPC212967
0.9 High Similarity NPC472910
0.9 High Similarity NPC48208
0.9 High Similarity NPC156057
0.9 High Similarity NPC474208
0.9 High Similarity NPC472913
0.9 High Similarity NPC96167
0.9 High Similarity NPC96342
0.9 High Similarity NPC474836
0.9 High Similarity NPC99597
0.9 High Similarity NPC162869
0.9 High Similarity NPC164110
0.9 High Similarity NPC472914
0.9 High Similarity NPC246647
0.9 High Similarity NPC129684
0.9 High Similarity NPC181960
0.8994 High Similarity NPC183597
0.8994 High Similarity NPC167815
0.8994 High Similarity NPC163780
0.8994 High Similarity NPC99199
0.8994 High Similarity NPC201136
0.8994 High Similarity NPC113906
0.8994 High Similarity NPC128863
0.8994 High Similarity NPC213622
0.8994 High Similarity NPC227325
0.8994 High Similarity NPC4455
0.8994 High Similarity NPC2476
0.8994 High Similarity NPC146165
0.8994 High Similarity NPC138360
0.8994 High Similarity NPC280339
0.8994 High Similarity NPC50715
0.8994 High Similarity NPC92659
0.8994 High Similarity NPC2928
0.8994 High Similarity NPC196439
0.8988 High Similarity NPC475783
0.8988 High Similarity NPC221820
0.8988 High Similarity NPC297807
0.8987 High Similarity NPC60972
0.8987 High Similarity NPC239128
0.8987 High Similarity NPC187498
0.8987 High Similarity NPC71334
0.8987 High Similarity NPC156222

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC39306 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
0.9051 High Similarity NPD2801 Approved
0.8938 High Similarity NPD3882 Suspended
0.875 High Similarity NPD1934 Approved
0.858 High Similarity NPD2393 Clinical (unspecified phase)
0.8571 High Similarity NPD3818 Discontinued
0.8545 High Similarity NPD5494 Approved
0.8512 High Similarity NPD7473 Discontinued
0.8503 High Similarity NPD3926 Phase 2
0.8481 Intermediate Similarity NPD1511 Approved
0.8452 Intermediate Similarity NPD6166 Phase 2
0.8452 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8443 Intermediate Similarity NPD6232 Discontinued
0.8383 Intermediate Similarity NPD1247 Approved
0.8375 Intermediate Similarity NPD1512 Approved
0.8364 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD1465 Phase 2
0.8313 Intermediate Similarity NPD3749 Approved
0.8304 Intermediate Similarity NPD5844 Phase 1
0.8256 Intermediate Similarity NPD7074 Phase 3
0.8198 Intermediate Similarity NPD7054 Approved
0.8193 Intermediate Similarity NPD3817 Phase 2
0.815 Intermediate Similarity NPD7472 Approved
0.8133 Intermediate Similarity NPD7819 Suspended
0.8114 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD2344 Approved
0.8086 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8059 Intermediate Similarity NPD6959 Discontinued
0.8057 Intermediate Similarity NPD6559 Discontinued
0.8047 Intermediate Similarity NPD919 Approved
0.7988 Intermediate Similarity NPD7075 Discontinued
0.7975 Intermediate Similarity NPD2532 Approved
0.7975 Intermediate Similarity NPD2534 Approved
0.7975 Intermediate Similarity NPD2533 Approved
0.7955 Intermediate Similarity NPD7251 Discontinued
0.7952 Intermediate Similarity NPD4380 Phase 2
0.7949 Intermediate Similarity NPD1240 Approved
0.7949 Intermediate Similarity NPD943 Approved
0.7944 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD1549 Phase 2
0.7917 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD6799 Approved
0.791 Intermediate Similarity NPD7808 Phase 3
0.7901 Intermediate Similarity NPD2309 Approved
0.7898 Intermediate Similarity NPD6797 Phase 2
0.7898 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD2800 Approved
0.7882 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD1510 Phase 2
0.7848 Intermediate Similarity NPD1607 Approved
0.7844 Intermediate Similarity NPD6599 Discontinued
0.7812 Intermediate Similarity NPD2796 Approved
0.7778 Intermediate Similarity NPD1243 Approved
0.7771 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD920 Approved
0.7765 Intermediate Similarity NPD5402 Approved
0.775 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD7199 Phase 2
0.7733 Intermediate Similarity NPD6234 Discontinued
0.773 Intermediate Similarity NPD3750 Approved
0.7719 Intermediate Similarity NPD7768 Phase 2
0.7702 Intermediate Similarity NPD2935 Discontinued
0.7692 Intermediate Similarity NPD7411 Suspended
0.7673 Intermediate Similarity NPD230 Phase 1
0.7657 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6801 Discontinued
0.7614 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD447 Suspended
0.7544 Intermediate Similarity NPD37 Approved
0.7541 Intermediate Similarity NPD8434 Phase 2
0.7531 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD3751 Discontinued
0.7528 Intermediate Similarity NPD7228 Approved
0.7516 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4967 Phase 2
0.7514 Intermediate Similarity NPD4966 Approved
0.7514 Intermediate Similarity NPD4965 Approved
0.7485 Intermediate Similarity NPD6100 Approved
0.7485 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6099 Approved
0.7485 Intermediate Similarity NPD7390 Discontinued
0.7473 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD3226 Approved
0.7468 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD3748 Approved
0.7421 Intermediate Similarity NPD3027 Phase 3
0.741 Intermediate Similarity NPD4628 Phase 3
0.7401 Intermediate Similarity NPD3787 Discontinued
0.7401 Intermediate Similarity NPD7229 Phase 3
0.7401 Intermediate Similarity NPD5711 Approved
0.7401 Intermediate Similarity NPD5710 Approved
0.7391 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD1613 Approved
0.7378 Intermediate Similarity NPD1551 Phase 2
0.7375 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD4287 Approved
0.7356 Intermediate Similarity NPD2296 Approved
0.7353 Intermediate Similarity NPD5403 Approved
0.7349 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1471 Phase 3
0.7333 Intermediate Similarity NPD2346 Discontinued
0.7317 Intermediate Similarity NPD2799 Discontinued
0.7301 Intermediate Similarity NPD6651 Approved
0.7296 Intermediate Similarity NPD9494 Approved
0.7293 Intermediate Similarity NPD7286 Phase 2
0.7283 Intermediate Similarity NPD8312 Approved
0.7283 Intermediate Similarity NPD8313 Approved
0.7261 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD8151 Discontinued
0.7235 Intermediate Similarity NPD5401 Approved
0.7229 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2403 Approved
0.7213 Intermediate Similarity NPD5953 Discontinued
0.7209 Intermediate Similarity NPD1653 Approved
0.7202 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7685 Pre-registration
0.7167 Intermediate Similarity NPD5242 Approved
0.716 Intermediate Similarity NPD3764 Approved
0.716 Intermediate Similarity NPD6190 Approved
0.7143 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6280 Approved
0.7143 Intermediate Similarity NPD6279 Approved
0.7134 Intermediate Similarity NPD1933 Approved
0.7122 Intermediate Similarity NPD7907 Approved
0.7113 Intermediate Similarity NPD6781 Approved
0.7113 Intermediate Similarity NPD6778 Approved
0.7113 Intermediate Similarity NPD6782 Approved
0.7113 Intermediate Similarity NPD6780 Approved
0.7113 Intermediate Similarity NPD6776 Approved
0.7113 Intermediate Similarity NPD6777 Approved
0.7113 Intermediate Similarity NPD6779 Approved
0.7102 Intermediate Similarity NPD5761 Phase 2
0.7102 Intermediate Similarity NPD5760 Phase 2
0.71 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7783 Phase 2
0.7092 Intermediate Similarity NPD7435 Discontinued
0.7089 Intermediate Similarity NPD9269 Phase 2
0.7081 Intermediate Similarity NPD7240 Approved
0.7074 Intermediate Similarity NPD8150 Discontinued
0.7063 Intermediate Similarity NPD1203 Approved
0.7062 Intermediate Similarity NPD5353 Approved
0.7059 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7871 Phase 2
0.7056 Intermediate Similarity NPD7870 Phase 2
0.7055 Intermediate Similarity NPD2313 Discontinued
0.7049 Intermediate Similarity NPD2163 Approved
0.7041 Intermediate Similarity NPD2654 Approved
0.7037 Intermediate Similarity NPD6832 Phase 2
0.7037 Intermediate Similarity NPD4908 Phase 1
0.7035 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4665 Approved
0.7024 Intermediate Similarity NPD4111 Phase 1
0.7017 Intermediate Similarity NPD6808 Phase 2
0.7005 Intermediate Similarity NPD7698 Approved
0.7005 Intermediate Similarity NPD7696 Phase 3
0.7005 Intermediate Similarity NPD7697 Approved
0.6994 Remote Similarity NPD4625 Phase 3
0.6994 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6385 Approved
0.6989 Remote Similarity NPD6386 Approved
0.6977 Remote Similarity NPD4357 Discontinued
0.6971 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6964 Remote Similarity NPD5408 Approved
0.6964 Remote Similarity NPD5404 Approved
0.6964 Remote Similarity NPD5406 Approved
0.6964 Remote Similarity NPD5405 Approved
0.6959 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1470 Approved
0.6954 Remote Similarity NPD6823 Phase 2
0.6951 Remote Similarity NPD4907 Clinical (unspecified phase)
0.695 Remote Similarity NPD7701 Phase 2
0.6949 Remote Similarity NPD6844 Discontinued
0.6928 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6355 Discontinued
0.6914 Remote Similarity NPD2798 Approved
0.6882 Remote Similarity NPD1729 Discontinued
0.6881 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7874 Approved
0.6875 Remote Similarity NPD9717 Approved
0.6875 Remote Similarity NPD1608 Approved
0.6872 Remote Similarity NPD4288 Approved
0.6871 Remote Similarity NPD2861 Phase 2
0.6868 Remote Similarity NPD8127 Discontinued
0.6867 Remote Similarity NPD4060 Phase 1
0.6862 Remote Similarity NPD7549 Discontinued

Structure

External Identifiers

PubChem CID   10743213
ChEMBL   CHEMBL459624
ZINC  

Physicochemical Properties

Molecular Weight:  476.26
ALogP:  3.4002
MLogP:  4.21
XLogP:  6.213
# Rotatable Bonds:  18
Polar Surface Area:  83.06
# H-Bond Aceptor:  0
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  35

Download Data

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