Natural Product: NPC56525

Natural Product ID:  NPC56525
Common Name:   Kibalaurifenone
IUPAC Name:  
Synonyms:   kibalaurifenone
Molecular Formula:   C21H26O3
Standard InCHIKey:  FVIRPNCHURITSK-AUEZAFRDSA-N
Standard InCHI:  InChI=1S/C21H26O3/c1-12-14-6-7-16-18-15(8-10-21(14,16)19(23)24-12)20(2)9-4-3-5-13(20)11-17(18)22/h3,5,11-12,14-16,18H,4,6-10H2,1-2H3/t12-,14+,15-,16-,18+,20-,21-/m0/s1
Canonical SMILES:  O=C1C=C2C=CCC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]3[C@]1(CC2)C(=O)O[C@H]3C)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
NPO30860 Kibatalia laurifolia Species Apocynaceae Eukaryota leaves PMID[21443172]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 21000 nM 21443172

  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 NPC56525 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
0.8652 High Similarity NPC470223
0.8571 High Similarity NPC28227
0.8539 High Similarity NPC100391
0.8495 Intermediate Similarity NPC218301
0.8478 Intermediate Similarity NPC473039
0.8462 Intermediate Similarity NPC136548
0.8444 Intermediate Similarity NPC323765
0.837 Intermediate Similarity NPC97884
0.837 Intermediate Similarity NPC472220
0.8352 Intermediate Similarity NPC195640
0.8333 Intermediate Similarity NPC320801
0.8298 Intermediate Similarity NPC19114
0.8261 Intermediate Similarity NPC167877
0.8247 Intermediate Similarity NPC23680
0.8247 Intermediate Similarity NPC226986
0.8247 Intermediate Similarity NPC292133
0.8222 Intermediate Similarity NPC271784
0.8222 Intermediate Similarity NPC469561
0.8202 Intermediate Similarity NPC474955
0.8202 Intermediate Similarity NPC475665
0.8191 Intermediate Similarity NPC220454
0.8191 Intermediate Similarity NPC469372
0.8191 Intermediate Similarity NPC469595
0.8191 Intermediate Similarity NPC475965
0.8191 Intermediate Similarity NPC212679
0.8191 Intermediate Similarity NPC474842
0.8152 Intermediate Similarity NPC6247
0.8152 Intermediate Similarity NPC264127
0.8144 Intermediate Similarity NPC111684
0.8144 Intermediate Similarity NPC322063
0.8144 Intermediate Similarity NPC58052
0.8132 Intermediate Similarity NPC109512
0.8119 Intermediate Similarity NPC255309
0.8119 Intermediate Similarity NPC164835
0.8119 Intermediate Similarity NPC228669
0.8111 Intermediate Similarity NPC327969
0.8111 Intermediate Similarity NPC100297
0.8111 Intermediate Similarity NPC321289
0.8085 Intermediate Similarity NPC173042
0.8081 Intermediate Similarity NPC51370
0.8081 Intermediate Similarity NPC287833
0.8068 Intermediate Similarity NPC4827
0.8061 Intermediate Similarity NPC121339
0.8061 Intermediate Similarity NPC216904
0.8043 Intermediate Similarity NPC470048
0.8041 Intermediate Similarity NPC171395
0.8039 Intermediate Similarity NPC96377
0.8022 Intermediate Similarity NPC83569
0.8022 Intermediate Similarity NPC69279
0.8021 Intermediate Similarity NPC152897
0.8021 Intermediate Similarity NPC66429
0.8021 Intermediate Similarity NPC470224
0.802 Intermediate Similarity NPC36321
0.8 Intermediate Similarity NPC129913
0.8 Intermediate Similarity NPC99411
0.798 Intermediate Similarity NPC271387
0.798 Intermediate Similarity NPC112753
0.798 Intermediate Similarity NPC153792
0.798 Intermediate Similarity NPC275439
0.798 Intermediate Similarity NPC471582
0.7979 Intermediate Similarity NPC226863
0.7979 Intermediate Similarity NPC190718
0.7979 Intermediate Similarity NPC215831
0.7959 Intermediate Similarity NPC472941
0.7959 Intermediate Similarity NPC125622
0.7959 Intermediate Similarity NPC3772
0.7959 Intermediate Similarity NPC456
0.7957 Intermediate Similarity NPC470051
0.7957 Intermediate Similarity NPC470050
0.7955 Intermediate Similarity NPC472300
0.7938 Intermediate Similarity NPC477129
0.7938 Intermediate Similarity NPC471078
0.7938 Intermediate Similarity NPC477130
0.7938 Intermediate Similarity NPC294266
0.7938 Intermediate Similarity NPC473280
0.7938 Intermediate Similarity NPC473435
0.7938 Intermediate Similarity NPC473431
0.7935 Intermediate Similarity NPC473246
0.7935 Intermediate Similarity NPC139566
0.7917 Intermediate Similarity NPC150383
0.7917 Intermediate Similarity NPC190442
0.7917 Intermediate Similarity NPC204341
0.7912 Intermediate Similarity NPC240302
0.7895 Intermediate Similarity NPC102414
0.7895 Intermediate Similarity NPC73995
0.7895 Intermediate Similarity NPC84271
0.7895 Intermediate Similarity NPC77168
0.7895 Intermediate Similarity NPC11611
0.7895 Intermediate Similarity NPC284561
0.7889 Intermediate Similarity NPC26139
0.7879 Intermediate Similarity NPC475894
0.7879 Intermediate Similarity NPC106557
0.7879 Intermediate Similarity NPC43747
0.7865 Intermediate Similarity NPC469996
0.7865 Intermediate Similarity NPC35574
0.7857 Intermediate Similarity NPC37646
0.7857 Intermediate Similarity NPC469599
0.7857 Intermediate Similarity NPC255809
0.7857 Intermediate Similarity NPC317586
0.7857 Intermediate Similarity NPC241156
0.7857 Intermediate Similarity NPC470016
0.7857 Intermediate Similarity NPC263347
0.7849 Intermediate Similarity NPC94531
0.7849 Intermediate Similarity NPC11711
0.7849 Intermediate Similarity NPC311702
0.7849 Intermediate Similarity NPC29447
0.7849 Intermediate Similarity NPC473038
0.7849 Intermediate Similarity NPC123319
0.7843 Intermediate Similarity NPC470954
0.7841 Intermediate Similarity NPC41017
0.7841 Intermediate Similarity NPC899
0.7835 Intermediate Similarity NPC229976
0.7835 Intermediate Similarity NPC79117
0.7835 Intermediate Similarity NPC134826
0.7826 Intermediate Similarity NPC102197
0.7822 Intermediate Similarity NPC224720
0.7822 Intermediate Similarity NPC310981
0.7822 Intermediate Similarity NPC476240
0.7822 Intermediate Similarity NPC124211
0.7822 Intermediate Similarity NPC476223
0.7812 Intermediate Similarity NPC175628
0.7812 Intermediate Similarity NPC152467
0.7812 Intermediate Similarity NPC46281
0.7812 Intermediate Similarity NPC148414
0.7812 Intermediate Similarity NPC111585
0.781 Intermediate Similarity NPC153239
0.7802 Intermediate Similarity NPC477372
0.7802 Intermediate Similarity NPC38350
0.7802 Intermediate Similarity NPC201912
0.78 Intermediate Similarity NPC166745
0.78 Intermediate Similarity NPC235464
0.78 Intermediate Similarity NPC477813
0.78 Intermediate Similarity NPC252295
0.78 Intermediate Similarity NPC176845
0.78 Intermediate Similarity NPC471717
0.7789 Intermediate Similarity NPC474845
0.7788 Intermediate Similarity NPC133422
0.7788 Intermediate Similarity NPC473037
0.7788 Intermediate Similarity NPC220974
0.7778 Intermediate Similarity NPC155676
0.7778 Intermediate Similarity NPC112654
0.7778 Intermediate Similarity NPC122324
0.7778 Intermediate Similarity NPC106425
0.7778 Intermediate Similarity NPC328371
0.7778 Intermediate Similarity NPC243525
0.7778 Intermediate Similarity NPC471775
0.7778 Intermediate Similarity NPC151725
0.7778 Intermediate Similarity NPC40765
0.7767 Intermediate Similarity NPC189616
0.7766 Intermediate Similarity NPC475022
0.7766 Intermediate Similarity NPC118648
0.7766 Intermediate Similarity NPC222613
0.7755 Intermediate Similarity NPC166906
0.7755 Intermediate Similarity NPC184870
0.7753 Intermediate Similarity NPC475932
0.7745 Intermediate Similarity NPC308351
0.7745 Intermediate Similarity NPC234892
0.7745 Intermediate Similarity NPC473163
0.7745 Intermediate Similarity NPC271266
0.7745 Intermediate Similarity NPC53222
0.7745 Intermediate Similarity NPC293753
0.7742 Intermediate Similarity NPC209882
0.7742 Intermediate Similarity NPC214043
0.7742 Intermediate Similarity NPC85774
0.7732 Intermediate Similarity NPC154101
0.7732 Intermediate Similarity NPC297265
0.7732 Intermediate Similarity NPC26888
0.7723 Intermediate Similarity NPC476274
0.7723 Intermediate Similarity NPC88198
0.7723 Intermediate Similarity NPC307954
0.7717 Intermediate Similarity NPC238991
0.7717 Intermediate Similarity NPC320514
0.7717 Intermediate Similarity NPC260956
0.7717 Intermediate Similarity NPC302661
0.7714 Intermediate Similarity NPC220155
0.7708 Intermediate Similarity NPC474570
0.7708 Intermediate Similarity NPC275740
0.7708 Intermediate Similarity NPC474889
0.7708 Intermediate Similarity NPC54689
0.7708 Intermediate Similarity NPC477943
0.7708 Intermediate Similarity NPC177141
0.7708 Intermediate Similarity NPC305039
0.7708 Intermediate Similarity NPC86319
0.7708 Intermediate Similarity NPC469546
0.77 Intermediate Similarity NPC187159
0.77 Intermediate Similarity NPC110937
0.7692 Intermediate Similarity NPC170038
0.7692 Intermediate Similarity NPC474956
0.7684 Intermediate Similarity NPC58063
0.7684 Intermediate Similarity NPC159046
0.7684 Intermediate Similarity NPC233836
0.7684 Intermediate Similarity NPC38885
0.7684 Intermediate Similarity NPC187376
0.7677 Intermediate Similarity NPC469995
0.7677 Intermediate Similarity NPC318282
0.7677 Intermediate Similarity NPC33473
0.7677 Intermediate Similarity NPC222845
0.7677 Intermediate Similarity NPC174948
0.7677 Intermediate Similarity NPC45324
0.7677 Intermediate Similarity NPC173875

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC56525 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
0.9 High Similarity NPD5207 Approved
0.837 Intermediate Similarity NPD6903 Approved
0.8352 Intermediate Similarity NPD5330 Approved
0.8352 Intermediate Similarity NPD7146 Approved
0.8352 Intermediate Similarity NPD7334 Approved
0.8352 Intermediate Similarity NPD6684 Approved
0.8352 Intermediate Similarity NPD7521 Approved
0.8352 Intermediate Similarity NPD6409 Approved
0.8298 Intermediate Similarity NPD5694 Approved
0.8191 Intermediate Similarity NPD5692 Phase 3
0.8172 Intermediate Similarity NPD5737 Approved
0.8172 Intermediate Similarity NPD6672 Approved
0.8172 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD5284 Approved
0.8105 Intermediate Similarity NPD6050 Approved
0.8105 Intermediate Similarity NPD5281 Approved
0.8041 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD5696 Approved
0.7957 Intermediate Similarity NPD5279 Phase 3
0.7938 Intermediate Similarity NPD6001 Approved
0.7864 Intermediate Similarity NPD6008 Approved
0.7857 Intermediate Similarity NPD5695 Phase 3
0.7835 Intermediate Similarity NPD6399 Phase 3
0.7816 Intermediate Similarity NPD4687 Approved
0.7789 Intermediate Similarity NPD5208 Approved
0.7708 Intermediate Similarity NPD6673 Approved
0.7708 Intermediate Similarity NPD6080 Approved
0.7708 Intermediate Similarity NPD6904 Approved
0.7677 Intermediate Similarity NPD5654 Approved
0.766 Intermediate Similarity NPD1694 Approved
0.7614 Intermediate Similarity NPD5733 Approved
0.7586 Intermediate Similarity NPD5276 Approved
0.7579 Intermediate Similarity NPD4694 Approved
0.7579 Intermediate Similarity NPD6098 Approved
0.7579 Intermediate Similarity NPD5280 Approved
0.7579 Intermediate Similarity NPD3618 Phase 1
0.7553 Intermediate Similarity NPD3665 Phase 1
0.7553 Intermediate Similarity NPD3666 Approved
0.7553 Intermediate Similarity NPD3133 Approved
0.7551 Intermediate Similarity NPD5693 Phase 1
0.7551 Intermediate Similarity NPD6079 Approved
0.7526 Intermediate Similarity NPD5328 Approved
0.7525 Intermediate Similarity NPD6084 Phase 2
0.7525 Intermediate Similarity NPD6083 Phase 2
0.7525 Intermediate Similarity NPD5959 Approved
0.75 Intermediate Similarity NPD4629 Approved
0.75 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD5210 Approved
0.7453 Intermediate Similarity NPD5697 Approved
0.7416 Intermediate Similarity NPD4058 Approved
0.74 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD7900 Approved
0.7396 Intermediate Similarity NPD5690 Phase 2
0.7383 Intermediate Similarity NPD6881 Approved
0.7383 Intermediate Similarity NPD6899 Approved
0.7383 Intermediate Similarity NPD6011 Approved
0.7383 Intermediate Similarity NPD7320 Approved
0.7368 Intermediate Similarity NPD4786 Approved
0.7358 Intermediate Similarity NPD6675 Approved
0.7358 Intermediate Similarity NPD6402 Approved
0.7358 Intermediate Similarity NPD7128 Approved
0.7358 Intermediate Similarity NPD5739 Approved
0.734 Intermediate Similarity NPD4221 Approved
0.734 Intermediate Similarity NPD3667 Approved
0.734 Intermediate Similarity NPD4223 Phase 3
0.7339 Intermediate Similarity NPD6649 Approved
0.7339 Intermediate Similarity NPD6650 Approved
0.7333 Intermediate Similarity NPD6052 Approved
0.7315 Intermediate Similarity NPD6012 Approved
0.7315 Intermediate Similarity NPD6372 Approved
0.7315 Intermediate Similarity NPD6014 Approved
0.7315 Intermediate Similarity NPD6373 Approved
0.7315 Intermediate Similarity NPD6013 Approved
0.729 Intermediate Similarity NPD5701 Approved
0.729 Intermediate Similarity NPD6614 Approved
0.7273 Intermediate Similarity NPD4747 Approved
0.7255 Intermediate Similarity NPD4697 Phase 3
0.7255 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD5221 Approved
0.7255 Intermediate Similarity NPD5222 Approved
0.7248 Intermediate Similarity NPD7102 Approved
0.7248 Intermediate Similarity NPD7290 Approved
0.7248 Intermediate Similarity NPD6883 Approved
0.7228 Intermediate Similarity NPD7748 Approved
0.72 Intermediate Similarity NPD6411 Approved
0.7188 Intermediate Similarity NPD4197 Approved
0.7188 Intermediate Similarity NPD3668 Phase 3
0.7184 Intermediate Similarity NPD7902 Approved
0.7184 Intermediate Similarity NPD5173 Approved
0.7182 Intermediate Similarity NPD6617 Approved
0.7182 Intermediate Similarity NPD6847 Approved
0.7182 Intermediate Similarity NPD8130 Phase 1
0.7182 Intermediate Similarity NPD6869 Approved
0.7172 Intermediate Similarity NPD4753 Phase 2
0.7159 Intermediate Similarity NPD4137 Phase 3
0.7158 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD4202 Approved
0.7117 Intermediate Similarity NPD8297 Approved
0.7117 Intermediate Similarity NPD6882 Approved
0.7113 Intermediate Similarity NPD5329 Approved
0.71 Intermediate Similarity NPD4096 Approved
0.7087 Intermediate Similarity NPD7732 Phase 3
0.7079 Intermediate Similarity NPD4691 Approved
0.7071 Intermediate Similarity NPD4518 Approved
0.7069 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6858 Approved
0.7054 Intermediate Similarity NPD7094 Approved
0.7048 Intermediate Similarity NPD5286 Approved
0.7048 Intermediate Similarity NPD4696 Approved
0.7048 Intermediate Similarity NPD5285 Approved
0.7041 Intermediate Similarity NPD4689 Approved
0.7041 Intermediate Similarity NPD5205 Approved
0.7041 Intermediate Similarity NPD4138 Approved
0.7041 Intermediate Similarity NPD4688 Approved
0.7041 Intermediate Similarity NPD4690 Approved
0.7041 Intermediate Similarity NPD4693 Phase 3
0.703 Intermediate Similarity NPD7515 Phase 2
0.7027 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4755 Approved
0.7 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6101 Approved
0.7 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5223 Approved
0.6961 Remote Similarity NPD5133 Approved
0.693 Remote Similarity NPD6868 Approved
0.6916 Remote Similarity NPD5211 Phase 2
0.6916 Remote Similarity NPD5224 Approved
0.6916 Remote Similarity NPD5225 Approved
0.6916 Remote Similarity NPD5226 Approved
0.6916 Remote Similarity NPD4633 Approved
0.6915 Remote Similarity NPD3617 Approved
0.6907 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6903 Remote Similarity NPD4632 Approved
0.6887 Remote Similarity NPD6404 Discontinued
0.6887 Remote Similarity NPD4700 Approved
0.687 Remote Similarity NPD7115 Discovery
0.687 Remote Similarity NPD6317 Approved
0.6869 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8034 Phase 2
0.6863 Remote Similarity NPD8035 Phase 2
0.6852 Remote Similarity NPD5175 Approved
0.6852 Remote Similarity NPD5174 Approved
0.6842 Remote Similarity NPD4195 Approved
0.6832 Remote Similarity NPD6051 Approved
0.681 Remote Similarity NPD6313 Approved
0.681 Remote Similarity NPD6314 Approved
0.681 Remote Similarity NPD6335 Approved
0.6792 Remote Similarity NPD7638 Approved
0.6789 Remote Similarity NPD5141 Approved
0.6783 Remote Similarity NPD6274 Approved
0.6774 Remote Similarity NPD8039 Approved
0.6768 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7614 Phase 1
0.6759 Remote Similarity NPD5091 Approved
0.6752 Remote Similarity NPD7100 Approved
0.6752 Remote Similarity NPD7101 Approved
0.675 Remote Similarity NPD7492 Approved
0.6729 Remote Similarity NPD7640 Approved
0.6729 Remote Similarity NPD7639 Approved
0.6724 Remote Similarity NPD6009 Approved
0.6701 Remote Similarity NPD4692 Approved
0.6701 Remote Similarity NPD4139 Approved
0.67 Remote Similarity NPD4519 Discontinued
0.67 Remote Similarity NPD4623 Approved
0.6697 Remote Similarity NPD4754 Approved
0.6695 Remote Similarity NPD6319 Approved
0.6695 Remote Similarity NPD6054 Approved
0.6694 Remote Similarity NPD6616 Approved
0.6694 Remote Similarity NPD7260 Phase 2
0.6667 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6412 Phase 2
0.6667 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6639 Remote Similarity NPD5983 Phase 2
0.6639 Remote Similarity NPD7078 Approved
0.6639 Remote Similarity NPD6015 Approved
0.6639 Remote Similarity NPD6016 Approved
0.6635 Remote Similarity NPD5779 Approved
0.6635 Remote Similarity NPD5778 Approved
0.663 Remote Similarity NPD5777 Approved
0.6607 Remote Similarity NPD5168 Approved
0.6607 Remote Similarity NPD4730 Approved
0.6607 Remote Similarity NPD4729 Approved
0.6604 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4695 Discontinued
0.6585 Remote Similarity NPD7736 Approved
0.6583 Remote Similarity NPD6370 Approved
0.6583 Remote Similarity NPD5988 Approved
0.6577 Remote Similarity NPD4767 Approved
0.6577 Remote Similarity NPD4768 Approved
0.6566 Remote Similarity NPD4788 Approved
0.6562 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6059 Approved
0.6538 Remote Similarity NPD7637 Suspended
0.6529 Remote Similarity NPD7604 Phase 2
0.6529 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6053 Discontinued
0.6508 Remote Similarity NPD6845 Suspended
0.6504 Remote Similarity NPD8293 Discontinued
0.65 Remote Similarity NPD6909 Approved
0.65 Remote Similarity NPD6908 Approved

Structure

External Identifiers

PubChem CID   53262710
ChEMBL   CHEMBL1801978
ZINC  

Physicochemical Properties

Molecular Weight:  326.19
ALogP:  0.8095
MLogP:  3.44
XLogP:  3.764
# Rotatable Bonds:  2
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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