Natural Product: NPC175513

Natural Product ID:  NPC175513
Common Name:   Obochalcolactone
IUPAC Name:  
Synonyms:   Obochalcolactone
Molecular Formula:   C34H30O7
Standard InCHIKey:  PRJFEGMPMYRWIX-MXIXYQCPSA-N
Standard InCHI:  InChI=1S/C34H30O7/c35-27(15-14-22-8-3-1-4-9-22)32-29(37)20-28(36)31-24-18-26(19-25-12-7-13-30(38)39-25)40-34(21-24,41-33(31)32)17-16-23-10-5-2-6-11-23/h1-11,13-17,20,24-26,36-37H,12,18-19,21H2/b15-14+,17-16+/t24-,25+,26-,34-/m0/s1
Canonical SMILES:  O=C1C=CC[C@@H](O1)C[C@@H]1C[C@H]2C[C@](O1)(/C=C/c1ccccc1)Oc1c2c(O)cc(c1C(=O)/C=C/c1ccccc1)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
NPO23852 Cryptocarya obovata Species Lauraceae Eukaryota trunk bark PMID[15165150]
NPO23852 Cryptocarya obovata Species Lauraceae Eukaryota fruit PMID[15165150]
NPO23852 Cryptocarya obovata Species Lauraceae Eukaryota PMID[15165150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 5000 nM 15165150

  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 NPC175513 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
0.9613 High Similarity NPC114652
0.9548 High Similarity NPC114147
0.9474 High Similarity NPC309512
0.9474 High Similarity NPC148945
0.9474 High Similarity NPC204561
0.9474 High Similarity NPC78835
0.9474 High Similarity NPC317715
0.9474 High Similarity NPC316960
0.9363 High Similarity NPC97812
0.9295 High Similarity NPC323627
0.9295 High Similarity NPC324358
0.9295 High Similarity NPC322459
0.9295 High Similarity NPC318527
0.9226 High Similarity NPC121568
0.9221 High Similarity NPC325429
0.9221 High Similarity NPC312549
0.9221 High Similarity NPC178484
0.9221 High Similarity NPC209142
0.9198 High Similarity NPC76047
0.9177 High Similarity NPC98023
0.9177 High Similarity NPC226462
0.9172 High Similarity NPC1796
0.9161 High Similarity NPC166067
0.9114 High Similarity NPC51247
0.9114 High Similarity NPC15815
0.9114 High Similarity NPC105584
0.9108 High Similarity NPC69531
0.9108 High Similarity NPC32867
0.9091 High Similarity NPC164205
0.9091 High Similarity NPC19238
0.9091 High Similarity NPC473016
0.9091 High Similarity NPC104236
0.9079 High Similarity NPC470136
0.9079 High Similarity NPC39045
0.9079 High Similarity NPC470135
0.9062 High Similarity NPC472876
0.9062 High Similarity NPC310603
0.9057 High Similarity NPC42965
0.9057 High Similarity NPC121647
0.9057 High Similarity NPC195136
0.9051 High Similarity NPC475184
0.9051 High Similarity NPC257166
0.9045 High Similarity NPC66441
0.9045 High Similarity NPC134171
0.9045 High Similarity NPC79375
0.9045 High Similarity NPC37253
0.9045 High Similarity NPC182555
0.9045 High Similarity NPC300668
0.9038 High Similarity NPC174086
0.9026 High Similarity NPC122894
0.902 High Similarity NPC470133
0.902 High Similarity NPC473078
0.902 High Similarity NPC470134
0.902 High Similarity NPC25844
0.902 High Similarity NPC470132
0.902 High Similarity NPC109183
0.902 High Similarity NPC470131
0.9 High Similarity NPC477629
0.9 High Similarity NPC270675
0.9 High Similarity NPC210961
0.9 High Similarity NPC472994
0.9 High Similarity NPC195685
0.9 High Similarity NPC47923
0.9 High Similarity NPC477628
0.8994 High Similarity NPC295090
0.8987 High Similarity NPC309648
0.897 High Similarity NPC168789
0.8968 High Similarity NPC3642
0.8961 High Similarity NPC110303
0.8961 High Similarity NPC296998
0.8961 High Similarity NPC23728
0.8961 High Similarity NPC473077
0.8954 High Similarity NPC473015
0.8954 High Similarity NPC473013
0.8954 High Similarity NPC271288
0.8944 High Similarity NPC44947
0.8938 High Similarity NPC472320
0.8938 High Similarity NPC271479
0.8931 High Similarity NPC287789
0.8931 High Similarity NPC271741
0.8931 High Similarity NPC208258
0.8924 High Similarity NPC201227
0.8924 High Similarity NPC258474
0.8917 High Similarity NPC208011
0.8917 High Similarity NPC78324
0.8917 High Similarity NPC39154
0.8917 High Similarity NPC115601
0.891 High Similarity NPC151973
0.891 High Similarity NPC474735
0.891 High Similarity NPC471115
0.891 High Similarity NPC29777
0.8903 High Similarity NPC160821
0.8903 High Similarity NPC39195
0.8903 High Similarity NPC132592
0.8903 High Similarity NPC161191
0.8896 High Similarity NPC267375
0.8896 High Similarity NPC111786
0.8896 High Similarity NPC475052
0.8896 High Similarity NPC301276
0.8896 High Similarity NPC260504
0.8896 High Similarity NPC176229
0.8896 High Similarity NPC154217
0.8896 High Similarity NPC474161
0.8896 High Similarity NPC476088
0.8896 High Similarity NPC246948
0.8896 High Similarity NPC54577
0.8896 High Similarity NPC83357
0.8896 High Similarity NPC470647
0.8896 High Similarity NPC477955
0.8896 High Similarity NPC473278
0.8896 High Similarity NPC89809
0.8896 High Similarity NPC214774
0.8896 High Similarity NPC195621
0.8896 High Similarity NPC20488
0.8896 High Similarity NPC67805
0.8896 High Similarity NPC470322
0.8896 High Similarity NPC228779
0.8896 High Similarity NPC88964
0.8896 High Similarity NPC312973
0.8896 High Similarity NPC142405
0.8889 High Similarity NPC91560
0.8889 High Similarity NPC257566
0.8889 High Similarity NPC77794
0.8889 High Similarity NPC85162
0.8889 High Similarity NPC164980
0.8889 High Similarity NPC75049
0.8889 High Similarity NPC125894
0.8889 High Similarity NPC223812
0.8889 High Similarity NPC175504
0.8889 High Similarity NPC124155
0.8889 High Similarity NPC310130
0.8889 High Similarity NPC278249
0.8889 High Similarity NPC107177
0.8889 High Similarity NPC169591
0.8889 High Similarity NPC68104
0.8889 High Similarity NPC221432
0.8889 High Similarity NPC149026
0.8889 High Similarity NPC81697
0.8889 High Similarity NPC150408
0.8889 High Similarity NPC39329
0.8889 High Similarity NPC143896
0.8889 High Similarity NPC257097
0.8889 High Similarity NPC80068
0.8882 High Similarity NPC301256
0.8882 High Similarity NPC92589
0.8882 High Similarity NPC312273
0.8882 High Similarity NPC14871
0.8882 High Similarity NPC303913
0.8875 High Similarity NPC51760
0.8875 High Similarity NPC308265
0.8875 High Similarity NPC195167
0.8868 High Similarity NPC198489
0.8868 High Similarity NPC56049
0.8868 High Similarity NPC471787
0.8868 High Similarity NPC54830
0.8868 High Similarity NPC61112
0.8861 High Similarity NPC326592
0.8861 High Similarity NPC112701
0.8861 High Similarity NPC324447
0.8861 High Similarity NPC109594
0.8854 High Similarity NPC290671
0.8854 High Similarity NPC476553
0.8854 High Similarity NPC476552
0.8854 High Similarity NPC476551
0.8848 High Similarity NPC8704
0.8848 High Similarity NPC164704
0.8848 High Similarity NPC470712
0.8848 High Similarity NPC287884
0.8846 High Similarity NPC132345
0.8839 High Similarity NPC97716
0.8839 High Similarity NPC104406
0.8839 High Similarity NPC237635
0.8839 High Similarity NPC140120
0.8839 High Similarity NPC79469
0.8839 High Similarity NPC24673
0.8839 High Similarity NPC308200
0.8839 High Similarity NPC300988
0.8839 High Similarity NPC10990
0.8839 High Similarity NPC201731
0.8839 High Similarity NPC283234
0.8834 High Similarity NPC205824
0.8834 High Similarity NPC19240
0.8834 High Similarity NPC129264
0.8834 High Similarity NPC139060
0.8834 High Similarity NPC473010
0.8834 High Similarity NPC85751
0.8831 High Similarity NPC236766
0.8831 High Similarity NPC319752
0.8831 High Similarity NPC1886
0.8831 High Similarity NPC209040
0.8831 High Similarity NPC197252
0.8831 High Similarity NPC473014
0.8831 High Similarity NPC196137
0.8831 High Similarity NPC469953
0.8831 High Similarity NPC131568
0.8831 High Similarity NPC131579
0.8831 High Similarity NPC235217
0.8827 High Similarity NPC473022
0.8827 High Similarity NPC477528
0.8827 High Similarity NPC473012

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175513 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
0.9045 High Similarity NPD8443 Clinical (unspecified phase)
0.8974 High Similarity NPD7411 Suspended
0.8951 High Similarity NPD7852 Clinical (unspecified phase)
0.8812 High Similarity NPD4381 Clinical (unspecified phase)
0.8788 High Similarity NPD7804 Clinical (unspecified phase)
0.875 High Similarity NPD7768 Phase 2
0.8742 High Similarity NPD7819 Suspended
0.871 High Similarity NPD7410 Clinical (unspecified phase)
0.8696 High Similarity NPD7075 Discontinued
0.8684 High Similarity NPD1549 Phase 2
0.8671 High Similarity NPD4380 Phase 2
0.8625 High Similarity NPD7096 Clinical (unspecified phase)
0.8618 High Similarity NPD1552 Clinical (unspecified phase)
0.8618 High Similarity NPD1550 Clinical (unspecified phase)
0.859 High Similarity NPD4378 Clinical (unspecified phase)
0.8537 High Similarity NPD6959 Discontinued
0.8487 Intermediate Similarity NPD1510 Phase 2
0.8466 Intermediate Similarity NPD3749 Approved
0.8452 Intermediate Similarity NPD3750 Approved
0.8447 Intermediate Similarity NPD6801 Discontinued
0.8431 Intermediate Similarity NPD2796 Approved
0.8395 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD7054 Approved
0.8314 Intermediate Similarity NPD8312 Approved
0.8314 Intermediate Similarity NPD8313 Approved
0.8294 Intermediate Similarity NPD7074 Phase 3
0.8294 Intermediate Similarity NPD7472 Approved
0.8293 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8274 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8274 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8274 Intermediate Similarity NPD6166 Phase 2
0.8256 Intermediate Similarity NPD7808 Phase 3
0.8246 Intermediate Similarity NPD6797 Phase 2
0.8198 Intermediate Similarity NPD6559 Discontinued
0.8198 Intermediate Similarity NPD7251 Discontinued
0.8176 Intermediate Similarity NPD6799 Approved
0.8176 Intermediate Similarity NPD3818 Discontinued
0.815 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD5494 Approved
0.814 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD5403 Approved
0.8129 Intermediate Similarity NPD5844 Phase 1
0.8129 Intermediate Similarity NPD3748 Approved
0.811 Intermediate Similarity NPD1934 Approved
0.8105 Intermediate Similarity NPD1240 Approved
0.8101 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD6599 Discontinued
0.8089 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD1551 Phase 2
0.8061 Intermediate Similarity NPD8455 Phase 2
0.8037 Intermediate Similarity NPD7458 Discontinued
0.8013 Intermediate Similarity NPD2799 Discontinued
0.8012 Intermediate Similarity NPD7473 Discontinued
0.8012 Intermediate Similarity NPD5401 Approved
0.8 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1607 Approved
0.7989 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD1511 Approved
0.7941 Intermediate Similarity NPD6232 Discontinued
0.7927 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD1243 Approved
0.7914 Intermediate Similarity NPD920 Approved
0.7904 Intermediate Similarity NPD3817 Phase 2
0.7904 Intermediate Similarity NPD5402 Approved
0.7901 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD2313 Discontinued
0.7857 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD1512 Approved
0.7848 Intermediate Similarity NPD2935 Discontinued
0.7844 Intermediate Similarity NPD2801 Approved
0.7843 Intermediate Similarity NPD4908 Phase 1
0.7829 Intermediate Similarity NPD5953 Discontinued
0.7814 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD2533 Approved
0.7791 Intermediate Similarity NPD2534 Approved
0.7791 Intermediate Similarity NPD2532 Approved
0.7778 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD4628 Phase 3
0.7751 Intermediate Similarity NPD3882 Suspended
0.774 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD8151 Discontinued
0.7714 Intermediate Similarity NPD7286 Phase 2
0.7712 Intermediate Similarity NPD2798 Approved
0.7711 Intermediate Similarity NPD3226 Approved
0.7707 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD5124 Phase 1
0.7702 Intermediate Similarity NPD2800 Approved
0.7697 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD3751 Discontinued
0.7654 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD7003 Approved
0.7647 Intermediate Similarity NPD1203 Approved
0.7633 Intermediate Similarity NPD1465 Phase 2
0.7628 Intermediate Similarity NPD3268 Approved
0.7609 Intermediate Similarity NPD4363 Phase 3
0.7609 Intermediate Similarity NPD4360 Phase 2
0.7578 Intermediate Similarity NPD2346 Discontinued
0.7578 Intermediate Similarity NPD2344 Approved
0.7572 Intermediate Similarity NPD7199 Phase 2
0.7565 Intermediate Similarity NPD7783 Phase 2
0.7565 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD7033 Discontinued
0.7558 Intermediate Similarity NPD919 Approved
0.7547 Intermediate Similarity NPD6651 Approved
0.7532 Intermediate Similarity NPD2797 Approved
0.7529 Intermediate Similarity NPD3787 Discontinued
0.7516 Intermediate Similarity NPD5406 Approved
0.7516 Intermediate Similarity NPD5405 Approved
0.7516 Intermediate Similarity NPD5408 Approved
0.7516 Intermediate Similarity NPD5404 Approved
0.7515 Intermediate Similarity NPD7390 Discontinued
0.7515 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1610 Phase 2
0.75 Intermediate Similarity NPD6832 Phase 2
0.75 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD4287 Approved
0.7486 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4288 Approved
0.7484 Intermediate Similarity NPD1933 Approved
0.7474 Intermediate Similarity NPD7697 Approved
0.7474 Intermediate Similarity NPD7435 Discontinued
0.7474 Intermediate Similarity NPD7698 Approved
0.7474 Intermediate Similarity NPD7696 Phase 3
0.7458 Intermediate Similarity NPD7228 Approved
0.7453 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD7584 Approved
0.7435 Intermediate Similarity NPD7871 Phase 2
0.7435 Intermediate Similarity NPD7870 Phase 2
0.7429 Intermediate Similarity NPD7229 Phase 3
0.741 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6099 Approved
0.7407 Intermediate Similarity NPD6780 Approved
0.7407 Intermediate Similarity NPD6778 Approved
0.7407 Intermediate Similarity NPD6782 Approved
0.7407 Intermediate Similarity NPD6781 Approved
0.7407 Intermediate Similarity NPD6777 Approved
0.7407 Intermediate Similarity NPD6776 Approved
0.7407 Intermediate Similarity NPD6779 Approved
0.7407 Intermediate Similarity NPD6100 Approved
0.7405 Intermediate Similarity NPD3764 Approved
0.7394 Intermediate Similarity NPD2309 Approved
0.7377 Intermediate Similarity NPD8150 Discontinued
0.7368 Intermediate Similarity NPD37 Approved
0.7362 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD6234 Discontinued
0.7355 Intermediate Similarity NPD3225 Approved
0.7346 Intermediate Similarity NPD4308 Phase 3
0.7344 Intermediate Similarity NPD8319 Approved
0.7344 Intermediate Similarity NPD8320 Phase 1
0.7341 Intermediate Similarity NPD4967 Phase 2
0.7341 Intermediate Similarity NPD4965 Approved
0.7341 Intermediate Similarity NPD4966 Approved
0.7338 Intermediate Similarity NPD9717 Approved
0.7333 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7874 Approved
0.733 Intermediate Similarity NPD5710 Approved
0.733 Intermediate Similarity NPD5711 Approved
0.7321 Intermediate Similarity NPD6273 Approved
0.732 Intermediate Similarity NPD7701 Phase 2
0.731 Intermediate Similarity NPD5889 Approved
0.731 Intermediate Similarity NPD5890 Approved
0.7308 Intermediate Similarity NPD3266 Approved
0.7308 Intermediate Similarity NPD3267 Approved
0.7296 Intermediate Similarity NPD6798 Discontinued
0.7293 Intermediate Similarity NPD7685 Pre-registration
0.7287 Intermediate Similarity NPD4361 Phase 2
0.7287 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD422 Phase 1
0.7263 Intermediate Similarity NPD7177 Discontinued
0.7247 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD1548 Phase 1
0.7235 Intermediate Similarity NPD1653 Approved
0.7231 Intermediate Similarity NPD7585 Approved
0.7226 Intermediate Similarity NPD1608 Approved
0.7211 Intermediate Similarity NPD7700 Phase 2
0.7211 Intermediate Similarity NPD7699 Phase 2
0.7208 Intermediate Similarity NPD7801 Approved
0.7205 Intermediate Similarity NPD943 Approved
0.7197 Intermediate Similarity NPD1164 Approved
0.7191 Intermediate Similarity NPD3926 Phase 2
0.7189 Intermediate Similarity NPD8434 Phase 2
0.7179 Intermediate Similarity NPD7583 Approved
0.7178 Intermediate Similarity NPD7097 Phase 1
0.7176 Intermediate Similarity NPD7427 Discontinued
0.7175 Intermediate Similarity NPD1247 Approved
0.716 Intermediate Similarity NPD6355 Discontinued
0.716 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6585 Discontinued
0.715 Intermediate Similarity NPD6823 Phase 2
0.7143 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD6535 Approved
0.7124 Intermediate Similarity NPD9545 Approved
0.7104 Intermediate Similarity NPD7240 Approved
0.7101 Intermediate Similarity NPD7213 Phase 3
0.7101 Intermediate Similarity NPD7212 Phase 2

Structure

External Identifiers

PubChem CID   10053294
ChEMBL   CHEMBL525213
ZINC  

Physicochemical Properties

Molecular Weight:  550.20
ALogP:  -0.3018
MLogP:  4.43
XLogP:  9.287
# Rotatable Bonds:  9
Polar Surface Area:  102.29
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  41

Download Data

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