Natural Product: NPC178173

Natural Product ID:  NPC178173
Common Name:   Phomalevone A
IUPAC Name:  
Synonyms:   Phomalevone A
Molecular Formula:   C30H26O10
Standard InCHIKey:  KMDRWTGFZLUZEY-NEUGYGHLSA-N
Standard InCHI:  InChI=1S/C30H26O10/c1-11-9-15-21(27(37)23-13(31)5-7-17(33)29(23,3)39-15)25(35)19(11)20-12(2)10-16-22(26(20)36)28(38)24-14(32)6-8-18(34)30(24,4)40-16/h5-10,17-18,31-36H,1-4H3/t17-,18-,29-,30-/m0/s1
Canonical SMILES:  OC1=C2C(=O)c3c(O[C@]2([C@H](C=C1)O)C)cc(c(c3O)c1c(C)cc2c(c1O)C(=O)C1=C(O)C=C[C@@H]([C@@]1(O2)C)O)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
NPO30877 Phoma Genus Didymellaceae Eukaryota mycelium PMID[21247198]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 36 mm 21247198
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 23 mm 21247198

  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 NPC178173 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
0.9689 High Similarity NPC154986
0.9434 High Similarity NPC473961
0.9394 High Similarity NPC477682
0.9394 High Similarity NPC477683
0.9325 High Similarity NPC251144
0.9325 High Similarity NPC241387
0.9325 High Similarity NPC241874
0.9245 High Similarity NPC186113
0.9217 High Similarity NPC324220
0.9217 High Similarity NPC312630
0.9202 High Similarity NPC225419
0.9202 High Similarity NPC474024
0.9157 High Similarity NPC232412
0.9157 High Similarity NPC98667
0.9157 High Similarity NPC86809
0.9146 High Similarity NPC297195
0.9146 High Similarity NPC207574
0.9146 High Similarity NPC291795
0.9114 High Similarity NPC135522
0.9102 High Similarity NPC469345
0.9102 High Similarity NPC475246
0.9096 High Similarity NPC213052
0.9085 High Similarity NPC472058
0.9085 High Similarity NPC105414
0.9085 High Similarity NPC324522
0.9085 High Similarity NPC470341
0.9085 High Similarity NPC234497
0.908 High Similarity NPC472057
0.908 High Similarity NPC472051
0.9074 High Similarity NPC472059
0.9068 High Similarity NPC470810
0.9068 High Similarity NPC471976
0.9051 High Similarity NPC475790
0.9042 High Similarity NPC3718
0.9042 High Similarity NPC294149
0.9036 High Similarity NPC472620
0.903 High Similarity NPC259905
0.9024 High Similarity NPC43319
0.9024 High Similarity NPC272502
0.9024 High Similarity NPC178851
0.9018 High Similarity NPC472053
0.9012 High Similarity NPC3629
0.9006 High Similarity NPC197972
0.8994 High Similarity NPC153578
0.8994 High Similarity NPC299149
0.8994 High Similarity NPC114257
0.8994 High Similarity NPC326592
0.8994 High Similarity NPC112701
0.8994 High Similarity NPC109594
0.8994 High Similarity NPC277710
0.8988 High Similarity NPC46958
0.8987 High Similarity NPC232645
0.8987 High Similarity NPC474021
0.8987 High Similarity NPC474023
0.8987 High Similarity NPC72958
0.8974 High Similarity NPC71055
0.897 High Similarity NPC477154
0.897 High Similarity NPC63470
0.897 High Similarity NPC117854
0.897 High Similarity NPC218226
0.897 High Similarity NPC6588
0.8963 High Similarity NPC293319
0.8957 High Similarity NPC15374
0.8957 High Similarity NPC472402
0.8941 High Similarity NPC475161
0.8941 High Similarity NPC477860
0.8938 High Similarity NPC477958
0.8931 High Similarity NPC244583
0.8931 High Similarity NPC10807
0.8931 High Similarity NPC87708
0.8931 High Similarity NPC150123
0.8931 High Similarity NPC56232
0.8931 High Similarity NPC161881
0.8929 High Similarity NPC63105
0.8924 High Similarity NPC202595
0.8922 High Similarity NPC271385
0.8922 High Similarity NPC30432
0.8922 High Similarity NPC5029
0.8922 High Similarity NPC111536
0.8922 High Similarity NPC76128
0.8916 High Similarity NPC246274
0.8916 High Similarity NPC472619
0.8908 High Similarity NPC48474
0.8902 High Similarity NPC197168
0.8902 High Similarity NPC186686
0.8896 High Similarity NPC18380
0.8896 High Similarity NPC472632
0.8896 High Similarity NPC137232
0.8895 High Similarity NPC87583
0.8889 High Similarity NPC85121
0.8889 High Similarity NPC51760
0.8889 High Similarity NPC473990
0.8882 High Similarity NPC164427
0.8882 High Similarity NPC146636
0.8882 High Similarity NPC208152
0.8882 High Similarity NPC245059
0.8882 High Similarity NPC78492
0.8882 High Similarity NPC84494
0.8876 High Similarity NPC475233
0.8875 High Similarity NPC469405
0.8875 High Similarity NPC472583
0.8875 High Similarity NPC210942
0.8875 High Similarity NPC169990
0.8875 High Similarity NPC223701
0.8875 High Similarity NPC329844
0.8875 High Similarity NPC7989
0.8875 High Similarity NPC155686
0.8868 High Similarity NPC209846
0.8868 High Similarity NPC244577
0.8868 High Similarity NPC207346
0.8868 High Similarity NPC328740
0.8868 High Similarity NPC289774
0.8868 High Similarity NPC471677
0.8868 High Similarity NPC149526
0.8868 High Similarity NPC477897
0.8868 High Similarity NPC471676
0.8868 High Similarity NPC474417
0.8868 High Similarity NPC263384
0.8868 High Similarity NPC472422
0.8868 High Similarity NPC46564
0.8868 High Similarity NPC472420
0.8862 High Similarity NPC474004
0.8862 High Similarity NPC313304
0.8862 High Similarity NPC103307
0.8862 High Similarity NPC298778
0.8848 High Similarity NPC25361
0.8848 High Similarity NPC62261
0.8848 High Similarity NPC469664
0.8841 High Similarity NPC474034
0.8841 High Similarity NPC474033
0.8841 High Similarity NPC216752
0.8834 High Similarity NPC475784
0.8834 High Similarity NPC184326
0.8834 High Similarity NPC321399
0.8834 High Similarity NPC472618
0.8834 High Similarity NPC36217
0.8834 High Similarity NPC292863
0.8834 High Similarity NPC174953
0.883 High Similarity NPC164047
0.883 High Similarity NPC470453
0.883 High Similarity NPC470448
0.883 High Similarity NPC470452
0.8827 High Similarity NPC44199
0.8827 High Similarity NPC282390
0.8827 High Similarity NPC281137
0.8827 High Similarity NPC471209
0.882 High Similarity NPC304207
0.882 High Similarity NPC259710
0.882 High Similarity NPC476169
0.882 High Similarity NPC477530
0.882 High Similarity NPC304745
0.882 High Similarity NPC48579
0.882 High Similarity NPC470681
0.882 High Similarity NPC207809
0.882 High Similarity NPC111341
0.882 High Similarity NPC217706
0.882 High Similarity NPC175192
0.8817 High Similarity NPC68381
0.8817 High Similarity NPC477992
0.8817 High Similarity NPC199533
0.8817 High Similarity NPC477991
0.8817 High Similarity NPC470454
0.8812 High Similarity NPC210597
0.8812 High Similarity NPC253904
0.8812 High Similarity NPC470340
0.8812 High Similarity NPC474843
0.8812 High Similarity NPC321363
0.881 High Similarity NPC4200
0.881 High Similarity NPC315619
0.8805 High Similarity NPC472633
0.8802 High Similarity NPC473202
0.8802 High Similarity NPC188079
0.8802 High Similarity NPC300307
0.8802 High Similarity NPC177480
0.8802 High Similarity NPC326877
0.8802 High Similarity NPC222455
0.8797 High Similarity NPC191634
0.8795 High Similarity NPC120593
0.8795 High Similarity NPC472449
0.8795 High Similarity NPC471213
0.8795 High Similarity NPC469394
0.8795 High Similarity NPC37870
0.879 High Similarity NPC469758
0.8788 High Similarity NPC236521
0.8788 High Similarity NPC152659
0.8788 High Similarity NPC290160
0.8788 High Similarity NPC63438
0.8788 High Similarity NPC248638
0.8788 High Similarity NPC207690
0.878 High Similarity NPC471211
0.878 High Similarity NPC472261
0.878 High Similarity NPC26326
0.878 High Similarity NPC474038
0.878 High Similarity NPC478222
0.878 High Similarity NPC472634
0.878 High Similarity NPC45124
0.878 High Similarity NPC471210
0.878 High Similarity NPC471212
0.878 High Similarity NPC30655
0.878 High Similarity NPC74854

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178173 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
0.9012 High Similarity NPD6959 Discontinued
0.8688 High Similarity NPD4380 Phase 2
0.8642 High Similarity NPD2393 Clinical (unspecified phase)
0.8623 High Similarity NPD6167 Clinical (unspecified phase)
0.8623 High Similarity NPD6166 Phase 2
0.8623 High Similarity NPD6168 Clinical (unspecified phase)
0.8538 High Similarity NPD6559 Discontinued
0.8471 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD1934 Approved
0.8421 Intermediate Similarity NPD7074 Phase 3
0.8415 Intermediate Similarity NPD7819 Suspended
0.8393 Intermediate Similarity NPD6232 Discontinued
0.8373 Intermediate Similarity NPD7075 Discontinued
0.8373 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8364 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD5844 Phase 1
0.8363 Intermediate Similarity NPD7054 Approved
0.8353 Intermediate Similarity NPD7473 Discontinued
0.8333 Intermediate Similarity NPD8313 Approved
0.8333 Intermediate Similarity NPD8312 Approved
0.8314 Intermediate Similarity NPD7472 Approved
0.8274 Intermediate Similarity NPD5494 Approved
0.8266 Intermediate Similarity NPD6797 Phase 2
0.8261 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD7251 Discontinued
0.8212 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD2801 Approved
0.8171 Intermediate Similarity NPD7808 Phase 3
0.8165 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8165 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD5402 Approved
0.8133 Intermediate Similarity NPD6801 Discontinued
0.8113 Intermediate Similarity NPD1549 Phase 2
0.8101 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD3818 Discontinued
0.8081 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD7411 Suspended
0.8037 Intermediate Similarity NPD2533 Approved
0.8037 Intermediate Similarity NPD2534 Approved
0.8037 Intermediate Similarity NPD2532 Approved
0.8012 Intermediate Similarity NPD3750 Approved
0.7989 Intermediate Similarity NPD3751 Discontinued
0.7989 Intermediate Similarity NPD8150 Discontinued
0.7988 Intermediate Similarity NPD3882 Suspended
0.7988 Intermediate Similarity NPD7768 Phase 2
0.7976 Intermediate Similarity NPD1465 Phase 2
0.7975 Intermediate Similarity NPD7390 Discontinued
0.7975 Intermediate Similarity NPD1511 Approved
0.7966 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD3226 Approved
0.7941 Intermediate Similarity NPD3749 Approved
0.7939 Intermediate Similarity NPD5403 Approved
0.7937 Intermediate Similarity NPD2346 Discontinued
0.7929 Intermediate Similarity NPD3817 Phase 2
0.7904 Intermediate Similarity NPD6599 Discontinued
0.7903 Intermediate Similarity NPD6782 Approved
0.7903 Intermediate Similarity NPD6778 Approved
0.7903 Intermediate Similarity NPD6779 Approved
0.7903 Intermediate Similarity NPD6776 Approved
0.7903 Intermediate Similarity NPD6780 Approved
0.7903 Intermediate Similarity NPD6781 Approved
0.7903 Intermediate Similarity NPD6777 Approved
0.7879 Intermediate Similarity NPD1512 Approved
0.7875 Intermediate Similarity NPD2796 Approved
0.7865 Intermediate Similarity NPD7783 Phase 2
0.7865 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD3787 Discontinued
0.7853 Intermediate Similarity NPD8151 Discontinued
0.7844 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD4625 Phase 3
0.7819 Intermediate Similarity NPD6823 Phase 2
0.7818 Intermediate Similarity NPD5401 Approved
0.7812 Intermediate Similarity NPD1510 Phase 2
0.7799 Intermediate Similarity NPD1607 Approved
0.7784 Intermediate Similarity NPD7228 Approved
0.7778 Intermediate Similarity NPD7435 Discontinued
0.7778 Intermediate Similarity NPD7698 Approved
0.7778 Intermediate Similarity NPD7696 Phase 3
0.7778 Intermediate Similarity NPD7697 Approved
0.7758 Intermediate Similarity NPD6799 Approved
0.773 Intermediate Similarity NPD2800 Approved
0.7708 Intermediate Similarity NPD7701 Phase 2
0.7702 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD3748 Approved
0.7683 Intermediate Similarity NPD4628 Phase 3
0.7683 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD1240 Approved
0.7669 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD8455 Phase 2
0.7654 Intermediate Similarity NPD1551 Phase 2
0.7654 Intermediate Similarity NPD2935 Discontinued
0.7654 Intermediate Similarity NPD6100 Approved
0.7654 Intermediate Similarity NPD6099 Approved
0.7644 Intermediate Similarity NPD7870 Phase 2
0.7644 Intermediate Similarity NPD7871 Phase 2
0.7634 Intermediate Similarity NPD6534 Approved
0.7634 Intermediate Similarity NPD6535 Approved
0.7606 Intermediate Similarity NPD7699 Phase 2
0.7606 Intermediate Similarity NPD7700 Phase 2
0.7605 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD37 Approved
0.7586 Intermediate Similarity NPD6234 Discontinued
0.7572 Intermediate Similarity NPD4966 Approved
0.7572 Intermediate Similarity NPD4965 Approved
0.7572 Intermediate Similarity NPD4967 Phase 2
0.7562 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD1613 Approved
0.7557 Intermediate Similarity NPD5711 Approved
0.7557 Intermediate Similarity NPD5710 Approved
0.7547 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7874 Approved
0.7538 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8434 Phase 2
0.75 Intermediate Similarity NPD7801 Approved
0.7485 Intermediate Similarity NPD2799 Discontinued
0.7461 Intermediate Similarity NPD8320 Phase 1
0.7461 Intermediate Similarity NPD8319 Approved
0.7439 Intermediate Similarity NPD5406 Approved
0.7439 Intermediate Similarity NPD5405 Approved
0.7439 Intermediate Similarity NPD5408 Approved
0.7439 Intermediate Similarity NPD5404 Approved
0.7438 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD4908 Phase 1
0.7418 Intermediate Similarity NPD7240 Approved
0.7416 Intermediate Similarity NPD3926 Phase 2
0.7412 Intermediate Similarity NPD920 Approved
0.741 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD1247 Approved
0.7377 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7003 Approved
0.7365 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD5953 Discontinued
0.7362 Intermediate Similarity NPD6651 Approved
0.7354 Intermediate Similarity NPD4360 Phase 2
0.7354 Intermediate Similarity NPD4363 Phase 3
0.7351 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD2424 Discontinued
0.7329 Intermediate Similarity NPD2313 Discontinued
0.7325 Intermediate Similarity NPD4749 Approved
0.7312 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7199 Phase 2
0.7302 Intermediate Similarity NPD6212 Phase 3
0.7302 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD6213 Phase 3
0.7301 Intermediate Similarity NPD5124 Phase 1
0.7301 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD7584 Approved
0.7294 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD2344 Approved
0.7288 Intermediate Similarity NPD919 Approved
0.7277 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD3027 Phase 3
0.7263 Intermediate Similarity NPD7229 Phase 3
0.7253 Intermediate Similarity NPD7286 Phase 2
0.7251 Intermediate Similarity NPD6273 Approved
0.725 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD4060 Phase 1
0.7239 Intermediate Similarity NPD943 Approved
0.7233 Intermediate Similarity NPD1470 Approved
0.7229 Intermediate Similarity NPD2438 Suspended
0.7225 Intermediate Similarity NPD7458 Discontinued
0.7222 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD8285 Discontinued
0.7202 Intermediate Similarity NPD1243 Approved
0.72 Intermediate Similarity NPD6844 Discontinued
0.7197 Intermediate Similarity NPD1201 Approved
0.7197 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1610 Phase 2
0.7176 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD4288 Approved
0.7118 Intermediate Similarity NPD2309 Approved
0.7115 Intermediate Similarity NPD1651 Approved
0.7104 Intermediate Similarity NPD7177 Discontinued
0.7101 Intermediate Similarity NPD6674 Discontinued
0.7099 Intermediate Similarity NPD6832 Phase 2
0.7091 Intermediate Similarity NPD447 Suspended
0.7076 Intermediate Similarity NPD3300 Phase 2
0.7071 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD1653 Approved
0.7066 Intermediate Similarity NPD7033 Discontinued
0.7066 Intermediate Similarity NPD4308 Phase 3
0.7066 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1283 Approved
0.7062 Intermediate Similarity NPD5760 Phase 2
0.7062 Intermediate Similarity NPD5761 Phase 2
0.7053 Intermediate Similarity NPD4287 Approved
0.7043 Intermediate Similarity NPD7685 Pre-registration
0.7037 Intermediate Similarity NPD2861 Phase 2
0.703 Intermediate Similarity NPD2979 Phase 3
0.7026 Intermediate Similarity NPD7237 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1765414
ZINC  

Physicochemical Properties

Molecular Weight:  546.15
ALogP:  -0.8308
MLogP:  3.66
XLogP:  0.606
# Rotatable Bonds:  11
Polar Surface Area:  173.98
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  40

Download Data

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