Natural Product: NPC477365

Natural Product ID:  NPC477365
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H36O5
Standard InCHIKey:  BFKWILVOTONIQI-HUFSBHEJSA-N
Standard InCHI:  InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1
Canonical SMILES:  O=C(O[C@H]1[C@@H](C)C[C@]2([C@@H]1[C@@H](O)/C(=CC[C@H]1[C@@H](/C=C(/C2=O)C)C1(C)C)/C)O)/C=C/c1ccccc1
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
NPO28682 Jatropha multifida Species Euphorbiaceae Eukaryota stems Botanical Garden, Osmania University, Hyderabad, Andhra Pradesh 2006-AUG PMID[21534583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity < 30 % 21534583

  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 NPC477365 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
0.9917 High Similarity NPC477370
0.9916 High Similarity NPC477366
0.975 High Similarity NPC477363
0.9748 High Similarity NPC477362
0.9672 High Similarity NPC37968
0.9669 High Similarity NPC477357
0.9421 High Similarity NPC8990
0.937 High Similarity NPC232888
0.937 High Similarity NPC477367
0.9344 High Similarity NPC477369
0.9291 High Similarity NPC477368
0.9213 High Similarity NPC477364
0.9141 High Similarity NPC477359
0.8976 High Similarity NPC475671
0.8976 High Similarity NPC272946
0.8976 High Similarity NPC475452
0.8976 High Similarity NPC42234
0.8837 High Similarity NPC477360
0.8636 High Similarity NPC472247
0.8636 High Similarity NPC270364
0.8571 High Similarity NPC477358
0.85 High Similarity NPC477101
0.85 High Similarity NPC477097
0.85 High Similarity NPC477099
0.8478 Intermediate Similarity NPC471162
0.8456 Intermediate Similarity NPC473497
0.8444 Intermediate Similarity NPC276652
0.8409 Intermediate Similarity NPC233692
0.8397 Intermediate Similarity NPC122504
0.8397 Intermediate Similarity NPC3450
0.8358 Intermediate Similarity NPC475262
0.8358 Intermediate Similarity NPC290833
0.8358 Intermediate Similarity NPC265459
0.8333 Intermediate Similarity NPC45307
0.8333 Intermediate Similarity NPC153214
0.8322 Intermediate Similarity NPC477100
0.8322 Intermediate Similarity NPC477098
0.8321 Intermediate Similarity NPC473654
0.8321 Intermediate Similarity NPC475413
0.8321 Intermediate Similarity NPC474303
0.8296 Intermediate Similarity NPC285221
0.8296 Intermediate Similarity NPC194769
0.8284 Intermediate Similarity NPC311492
0.8284 Intermediate Similarity NPC472250
0.8284 Intermediate Similarity NPC28836
0.8271 Intermediate Similarity NPC239358
0.8239 Intermediate Similarity NPC25484
0.8239 Intermediate Similarity NPC232583
0.8239 Intermediate Similarity NPC125033
0.8235 Intermediate Similarity NPC86772
0.8227 Intermediate Similarity NPC205389
0.8209 Intermediate Similarity NPC472248
0.8201 Intermediate Similarity NPC477096
0.8201 Intermediate Similarity NPC477094
0.8188 Intermediate Similarity NPC242355
0.8175 Intermediate Similarity NPC272523
0.8175 Intermediate Similarity NPC325805
0.8162 Intermediate Similarity NPC217673
0.8162 Intermediate Similarity NPC52523
0.8162 Intermediate Similarity NPC202729
0.8156 Intermediate Similarity NPC170668
0.8134 Intermediate Similarity NPC233860
0.8116 Intermediate Similarity NPC475660
0.8116 Intermediate Similarity NPC251294
0.811 Intermediate Similarity NPC472708
0.8102 Intermediate Similarity NPC27721
0.8088 Intermediate Similarity NPC200154
0.8071 Intermediate Similarity NPC82467
0.8043 Intermediate Similarity NPC473301
0.803 Intermediate Similarity NPC472706
0.8028 Intermediate Similarity NPC477095
0.7986 Intermediate Similarity NPC473440
0.797 Intermediate Similarity NPC472707
0.7956 Intermediate Similarity NPC79699
0.7939 Intermediate Similarity NPC12881
0.7939 Intermediate Similarity NPC140118
0.7883 Intermediate Similarity NPC470143
0.7883 Intermediate Similarity NPC322503
0.7872 Intermediate Similarity NPC183540
0.7872 Intermediate Similarity NPC140021
0.7852 Intermediate Similarity NPC475508
0.7851 Intermediate Similarity NPC321670
0.7832 Intermediate Similarity NPC25043
0.7832 Intermediate Similarity NPC134131
0.7803 Intermediate Similarity NPC472704
0.7801 Intermediate Similarity NPC187566
0.7795 Intermediate Similarity NPC9274
0.7755 Intermediate Similarity NPC138641
0.7755 Intermediate Similarity NPC22571
0.7755 Intermediate Similarity NPC283875
0.7755 Intermediate Similarity NPC469648
0.7755 Intermediate Similarity NPC469647
0.7754 Intermediate Similarity NPC153617
0.7754 Intermediate Similarity NPC471911
0.7754 Intermediate Similarity NPC329913
0.7754 Intermediate Similarity NPC126516
0.7754 Intermediate Similarity NPC4242
0.775 Intermediate Similarity NPC118405
0.7746 Intermediate Similarity NPC63737
0.7727 Intermediate Similarity NPC472703
0.7724 Intermediate Similarity NPC20485
0.7721 Intermediate Similarity NPC49272
0.7692 Intermediate Similarity NPC95449
0.7687 Intermediate Similarity NPC472398
0.7681 Intermediate Similarity NPC15850
0.766 Intermediate Similarity NPC170718
0.7651 Intermediate Similarity NPC469456
0.7635 Intermediate Similarity NPC233581
0.7635 Intermediate Similarity NPC145649
0.7634 Intermediate Similarity NPC474223
0.7634 Intermediate Similarity NPC475827
0.763 Intermediate Similarity NPC169913
0.7626 Intermediate Similarity NPC298547
0.7626 Intermediate Similarity NPC134937
0.7626 Intermediate Similarity NPC324898
0.7626 Intermediate Similarity NPC203486
0.76 Intermediate Similarity NPC11410
0.76 Intermediate Similarity NPC70344
0.7591 Intermediate Similarity NPC82712
0.7591 Intermediate Similarity NPC472388
0.7586 Intermediate Similarity NPC277053
0.7586 Intermediate Similarity NPC301946
0.7582 Intermediate Similarity NPC165234
0.7582 Intermediate Similarity NPC475536
0.7574 Intermediate Similarity NPC115797
0.7574 Intermediate Similarity NPC51448
0.7571 Intermediate Similarity NPC149401
0.7571 Intermediate Similarity NPC279637
0.7569 Intermediate Similarity NPC284957
0.7568 Intermediate Similarity NPC161955
0.7557 Intermediate Similarity NPC204784
0.7556 Intermediate Similarity NPC275576
0.7556 Intermediate Similarity NPC476599
0.7552 Intermediate Similarity NPC471862
0.754 Intermediate Similarity NPC477247
0.7537 Intermediate Similarity NPC471466
0.7536 Intermediate Similarity NPC72915
0.7535 Intermediate Similarity NPC9905
0.7533 Intermediate Similarity NPC471176
0.7532 Intermediate Similarity NPC475464
0.7532 Intermediate Similarity NPC473641
0.7532 Intermediate Similarity NPC473797
0.7532 Intermediate Similarity NPC475437
0.7532 Intermediate Similarity NPC475300
0.7532 Intermediate Similarity NPC475505
0.7518 Intermediate Similarity NPC225103
0.7517 Intermediate Similarity NPC80895
0.7517 Intermediate Similarity NPC471912
0.7517 Intermediate Similarity NPC240592
0.7517 Intermediate Similarity NPC117346
0.75 Intermediate Similarity NPC474222
0.75 Intermediate Similarity NPC161151
0.75 Intermediate Similarity NPC475804
0.75 Intermediate Similarity NPC477251
0.75 Intermediate Similarity NPC51181
0.75 Intermediate Similarity NPC473243
0.7483 Intermediate Similarity NPC162613
0.7483 Intermediate Similarity NPC132652
0.7483 Intermediate Similarity NPC87934
0.7483 Intermediate Similarity NPC79921
0.7482 Intermediate Similarity NPC80599
0.7468 Intermediate Similarity NPC55744
0.7466 Intermediate Similarity NPC478264
0.7465 Intermediate Similarity NPC184109
0.7465 Intermediate Similarity NPC205305
0.7465 Intermediate Similarity NPC327511
0.7464 Intermediate Similarity NPC473443
0.7464 Intermediate Similarity NPC475138
0.7463 Intermediate Similarity NPC474254
0.7463 Intermediate Similarity NPC474159
0.7448 Intermediate Similarity NPC191387
0.7448 Intermediate Similarity NPC477894
0.7448 Intermediate Similarity NPC131966
0.7447 Intermediate Similarity NPC477893
0.7447 Intermediate Similarity NPC477896
0.7445 Intermediate Similarity NPC58061
0.7426 Intermediate Similarity NPC79608
0.7422 Intermediate Similarity NPC242957
0.7422 Intermediate Similarity NPC206414
0.7422 Intermediate Similarity NPC306977
0.7422 Intermediate Similarity NPC287055
0.7417 Intermediate Similarity NPC251139
0.7417 Intermediate Similarity NPC87090
0.7417 Intermediate Similarity NPC132599
0.7417 Intermediate Similarity NPC473632
0.7417 Intermediate Similarity NPC469730
0.7415 Intermediate Similarity NPC478263
0.7413 Intermediate Similarity NPC121268
0.7413 Intermediate Similarity NPC53361
0.741 Intermediate Similarity NPC17567
0.741 Intermediate Similarity NPC470278
0.7405 Intermediate Similarity NPC152812
0.7381 Intermediate Similarity NPC469636
0.7379 Intermediate Similarity NPC182869
0.7379 Intermediate Similarity NPC192658
0.7379 Intermediate Similarity NPC475135
0.7379 Intermediate Similarity NPC471856
0.7377 Intermediate Similarity NPC477356
0.7376 Intermediate Similarity NPC48929
0.7376 Intermediate Similarity NPC19719

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477365 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
0.8085 Intermediate Similarity NPD7236 Approved
0.7983 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7934 Intermediate Similarity NPD6685 Approved
0.7833 Intermediate Similarity NPD6647 Phase 2
0.7808 Intermediate Similarity NPD7239 Suspended
0.7686 Intermediate Similarity NPD5765 Approved
0.7681 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6085 Phase 2
0.75 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD6912 Phase 3
0.746 Intermediate Similarity NPD2067 Discontinued
0.7422 Intermediate Similarity NPD7094 Approved
0.7422 Intermediate Similarity NPD6858 Approved
0.7357 Intermediate Similarity NPD7961 Discontinued
0.7338 Intermediate Similarity NPD7058 Phase 2
0.7338 Intermediate Similarity NPD7057 Phase 3
0.7313 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD2629 Approved
0.7222 Intermediate Similarity NPD7305 Phase 1
0.7176 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5909 Discontinued
0.7037 Intermediate Similarity NPD7799 Discontinued
0.7025 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD5048 Discontinued
0.7007 Intermediate Similarity NPD6002 Phase 3
0.7007 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6005 Phase 3
0.7007 Intermediate Similarity NPD6004 Phase 3
0.6977 Remote Similarity NPD2182 Approved
0.697 Remote Similarity NPD6010 Discontinued
0.6966 Remote Similarity NPD6653 Approved
0.6963 Remote Similarity NPD7741 Discontinued
0.6939 Remote Similarity NPD7137 Phase 2
0.6929 Remote Similarity NPD6362 Approved
0.688 Remote Similarity NPD2066 Phase 3
0.6879 Remote Similarity NPD5647 Approved
0.6875 Remote Similarity NPD6663 Approved
0.6866 Remote Similarity NPD4198 Discontinued
0.6853 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6831 Remote Similarity NPD5736 Approved
0.6829 Remote Similarity NPD1693 Approved
0.68 Remote Similarity NPD9495 Approved
0.6797 Remote Similarity NPD1237 Approved
0.6783 Remote Similarity NPD7055 Discontinued
0.6777 Remote Similarity NPD5785 Approved
0.6769 Remote Similarity NPD6899 Approved
0.6769 Remote Similarity NPD6406 Approved
0.6769 Remote Similarity NPD6881 Approved
0.6742 Remote Similarity NPD6649 Approved
0.6742 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6650 Approved
0.6719 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1929 Approved
0.6719 Remote Similarity NPD1930 Approved
0.6716 Remote Similarity NPD2652 Approved
0.6716 Remote Similarity NPD2650 Approved
0.6715 Remote Similarity NPD7009 Phase 2
0.6714 Remote Similarity NPD6637 Approved
0.6692 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD6355 Discontinued
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD6371 Approved
0.6667 Remote Similarity NPD164 Approved
0.6667 Remote Similarity NPD1088 Approved
0.6645 Remote Similarity NPD6273 Approved
0.6645 Remote Similarity NPD4628 Phase 3
0.6643 Remote Similarity NPD4807 Approved
0.6643 Remote Similarity NPD4806 Approved
0.6642 Remote Similarity NPD7610 Discontinued
0.6639 Remote Similarity NPD3672 Approved
0.6639 Remote Similarity NPD3673 Approved
0.6621 Remote Similarity NPD7008 Discontinued
0.6619 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6619 Remote Similarity NPD5305 Approved
0.6619 Remote Similarity NPD5306 Approved
0.6617 Remote Similarity NPD6617 Approved
0.6617 Remote Similarity NPD6869 Approved
0.6617 Remote Similarity NPD6847 Approved
0.6617 Remote Similarity NPD8130 Phase 1
0.6615 Remote Similarity NPD7128 Approved
0.6615 Remote Similarity NPD6402 Approved
0.6615 Remote Similarity NPD5739 Approved
0.6615 Remote Similarity NPD6675 Approved
0.6601 Remote Similarity NPD6190 Approved
0.6597 Remote Similarity NPD3663 Approved
0.6597 Remote Similarity NPD3662 Phase 3
0.6597 Remote Similarity NPD3664 Approved
0.6597 Remote Similarity NPD3661 Approved
0.6591 Remote Similarity NPD6012 Approved
0.6591 Remote Similarity NPD6373 Approved
0.6591 Remote Similarity NPD6372 Approved
0.6591 Remote Similarity NPD6014 Approved
0.6591 Remote Similarity NPD6013 Approved
0.6568 Remote Similarity NPD7685 Pre-registration
0.6567 Remote Similarity NPD8297 Approved
0.6567 Remote Similarity NPD6882 Approved
0.6562 Remote Similarity NPD5761 Phase 2
0.6562 Remote Similarity NPD5760 Phase 2
0.6557 Remote Similarity NPD5346 Phase 2
0.6557 Remote Similarity NPD5347 Phase 2
0.6544 Remote Similarity NPD4766 Approved
0.6544 Remote Similarity NPD5951 Approved
0.6536 Remote Similarity NPD8166 Discontinued
0.6525 Remote Similarity NPD6287 Discontinued
0.6515 Remote Similarity NPD7320 Approved
0.6515 Remote Similarity NPD6011 Approved
0.6512 Remote Similarity NPD1932 Approved
0.6512 Remote Similarity NPD5211 Phase 2
0.6504 Remote Similarity NPD1089 Approved
0.6504 Remote Similarity NPD1086 Approved
0.6504 Remote Similarity NPD1090 Approved
0.6496 Remote Similarity NPD7115 Discovery
0.6484 Remote Similarity NPD7798 Approved
0.6483 Remote Similarity NPD7084 Phase 3
0.6475 Remote Similarity NPD9545 Approved
0.6474 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6765 Approved
0.6471 Remote Similarity NPD6764 Approved
0.6466 Remote Similarity NPD2329 Discontinued
0.6463 Remote Similarity NPD3268 Approved
0.6457 Remote Similarity NPD6084 Phase 2
0.6457 Remote Similarity NPD6083 Phase 2
0.6454 Remote Similarity NPD4135 Approved
0.6454 Remote Similarity NPD4106 Approved
0.6454 Remote Similarity NPD4136 Approved
0.6447 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6447 Remote Similarity NPD5763 Approved
0.6447 Remote Similarity NPD5762 Approved
0.6444 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6444 Remote Similarity NPD969 Suspended
0.6439 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6424 Remote Similarity NPD7033 Discontinued
0.6423 Remote Similarity NPD800 Approved
0.6419 Remote Similarity NPD7715 Approved
0.6419 Remote Similarity NPD7714 Approved
0.6418 Remote Similarity NPD1317 Discontinued
0.6412 Remote Similarity NPD5141 Approved
0.6393 Remote Similarity NPD4793 Discontinued
0.6387 Remote Similarity NPD6435 Approved
0.6379 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6379 Remote Similarity NPD8434 Phase 2
0.6378 Remote Similarity NPD1989 Approved
0.6376 Remote Similarity NPD4140 Approved
0.6374 Remote Similarity NPD8368 Discontinued
0.637 Remote Similarity NPD5204 Approved
0.6364 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5363 Approved
0.6358 Remote Similarity NPD8407 Phase 2
0.6357 Remote Similarity NPD5285 Approved
0.6357 Remote Similarity NPD1238 Approved
0.6357 Remote Similarity NPD5286 Approved
0.6357 Remote Similarity NPD4696 Approved
0.6351 Remote Similarity NPD3764 Approved
0.6345 Remote Similarity NPD2797 Approved
0.634 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6337 Remote Similarity NPD7962 Phase 2
0.6331 Remote Similarity NPD694 Clinical (unspecified phase)
0.6325 Remote Similarity NPD8127 Discontinued
0.6324 Remote Similarity NPD6053 Discontinued
0.6323 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6323 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6323 Remote Similarity NPD2575 Approved
0.6322 Remote Similarity NPD6785 Approved
0.6322 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6784 Approved
0.6312 Remote Similarity NPD4102 Approved
0.6312 Remote Similarity NPD5585 Approved
0.6312 Remote Similarity NPD7458 Discontinued
0.6312 Remote Similarity NPD4105 Approved
0.6311 Remote Similarity NPD5786 Approved
0.6303 Remote Similarity NPD226 Approved
0.6299 Remote Similarity NPD6049 Phase 2
0.6299 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6299 Remote Similarity NPD5695 Phase 3
0.6296 Remote Similarity NPD4233 Approved
0.6296 Remote Similarity NPD4234 Approved
0.6294 Remote Similarity NPD4215 Approved
0.6294 Remote Similarity NPD4216 Approved
0.6294 Remote Similarity NPD3132 Approved
0.6294 Remote Similarity NPD2611 Approved
0.6294 Remote Similarity NPD3131 Approved
0.6294 Remote Similarity NPD2608 Approved
0.6294 Remote Similarity NPD4218 Approved
0.6294 Remote Similarity NPD2610 Approved
0.6294 Remote Similarity NPD2612 Approved
0.6294 Remote Similarity NPD2609 Approved
0.6294 Remote Similarity NPD4217 Approved
0.629 Remote Similarity NPD689 Discontinued
0.6289 Remote Similarity NPD7606 Phase 3
0.6286 Remote Similarity NPD7101 Approved
0.6286 Remote Similarity NPD7100 Approved
0.6286 Remote Similarity NPD6065 Approved
0.6282 Remote Similarity NPD7274 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   56666456
ChEMBL   CHEMBL1801696
ZINC  

Physicochemical Properties

Molecular Weight:  464.26
ALogP:  1.2294
MLogP:  4.1
XLogP:  7.068
# Rotatable Bonds:  11
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

Download Data

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