Natural Product: NPC476598

Natural Product ID:  NPC476598
Common Name:   Anthoptilide C
IUPAC Name:  
Synonyms:   Anthoptilide C
Molecular Formula:   C25H32O7
Standard InCHIKey:  SOZYLLOAOCBQFQ-GUNDZKFLSA-N
Standard InCHI:  InChI=1S/C25H32O7/c1-7-22(28)32-21-9-8-13(2)10-20-17(15(4)24(29)31-20)12-18-14(3)11-19(27)23(25(18,21)6)30-16(5)26/h10-11,18,20-21,23H,7-9,12H2,1-6H3/b13-10-/t18-,20-,21+,23-,25-/m0/s1
Canonical SMILES:  CCC(=O)O[C@@H]1CC/C(=C[C@H]2C(=C(C)C(=O)O2)C[C@@H]2[C@]1(C)[C@@H](OC(=O)C)C(=O)C=C2C)/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
NPO33618 Anthoptilum cf. kukenthali Species Anthoptilidae Eukaryota at the depth of 267 m from CSIRO RV Southern Surveyor, on the Northwest side of Port Hedland (18.16.6'S, 118.11.2‘ E), Western Australia PMID[10757710]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus IC50 = 3100 nM 10757710

  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 NPC476598 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
1.0 High Similarity NPC476597
0.9885 High Similarity NPC476596
0.8953 High Similarity NPC474193
0.8953 High Similarity NPC12283
0.8736 High Similarity NPC193198
0.8681 High Similarity NPC471818
0.8636 High Similarity NPC474359
0.8602 High Similarity NPC148463
0.8556 High Similarity NPC476600
0.8523 High Similarity NPC474703
0.8523 High Similarity NPC222358
0.8488 Intermediate Similarity NPC471299
0.8333 Intermediate Similarity NPC189311
0.8295 Intermediate Similarity NPC471325
0.8283 Intermediate Similarity NPC19239
0.8283 Intermediate Similarity NPC474166
0.8265 Intermediate Similarity NPC472643
0.8265 Intermediate Similarity NPC473384
0.8261 Intermediate Similarity NPC226863
0.8242 Intermediate Similarity NPC220478
0.8211 Intermediate Similarity NPC470697
0.8161 Intermediate Similarity NPC471220
0.8152 Intermediate Similarity NPC312561
0.8144 Intermediate Similarity NPC69385
0.8137 Intermediate Similarity NPC476479
0.8125 Intermediate Similarity NPC470974
0.8125 Intermediate Similarity NPC470978
0.8125 Intermediate Similarity NPC295347
0.8119 Intermediate Similarity NPC472645
0.8105 Intermediate Similarity NPC475657
0.8085 Intermediate Similarity NPC281942
0.8085 Intermediate Similarity NPC220454
0.8085 Intermediate Similarity NPC469595
0.8085 Intermediate Similarity NPC212679
0.8085 Intermediate Similarity NPC232426
0.8068 Intermediate Similarity NPC178277
0.8061 Intermediate Similarity NPC222011
0.8022 Intermediate Similarity NPC30486
0.8022 Intermediate Similarity NPC31086
0.8022 Intermediate Similarity NPC149869
0.8 Intermediate Similarity NPC473944
0.8 Intermediate Similarity NPC471218
0.8 Intermediate Similarity NPC200513
0.8 Intermediate Similarity NPC178676
0.8 Intermediate Similarity NPC141831
0.798 Intermediate Similarity NPC472644
0.7979 Intermediate Similarity NPC280833
0.7979 Intermediate Similarity NPC284561
0.7979 Intermediate Similarity NPC5509
0.7979 Intermediate Similarity NPC73995
0.7959 Intermediate Similarity NPC208094
0.7959 Intermediate Similarity NPC110937
0.7959 Intermediate Similarity NPC53844
0.7955 Intermediate Similarity NPC128276
0.7935 Intermediate Similarity NPC110405
0.7931 Intermediate Similarity NPC27205
0.7917 Intermediate Similarity NPC139692
0.7912 Intermediate Similarity NPC22611
0.79 Intermediate Similarity NPC476478
0.7895 Intermediate Similarity NPC469372
0.7895 Intermediate Similarity NPC152467
0.7885 Intermediate Similarity NPC475922
0.7872 Intermediate Similarity NPC477128
0.7872 Intermediate Similarity NPC215831
0.7865 Intermediate Similarity NPC270126
0.7864 Intermediate Similarity NPC475510
0.7864 Intermediate Similarity NPC475587
0.7857 Intermediate Similarity NPC184065
0.7849 Intermediate Similarity NPC202394
0.7843 Intermediate Similarity NPC189616
0.7841 Intermediate Similarity NPC57744
0.7841 Intermediate Similarity NPC41780
0.7841 Intermediate Similarity NPC187568
0.7835 Intermediate Similarity NPC53685
0.7835 Intermediate Similarity NPC477130
0.7835 Intermediate Similarity NPC38830
0.7835 Intermediate Similarity NPC477129
0.7826 Intermediate Similarity NPC475100
0.7826 Intermediate Similarity NPC159635
0.7822 Intermediate Similarity NPC183571
0.7822 Intermediate Similarity NPC476081
0.781 Intermediate Similarity NPC115257
0.781 Intermediate Similarity NPC161816
0.7802 Intermediate Similarity NPC35556
0.78 Intermediate Similarity NPC470761
0.78 Intermediate Similarity NPC476299
0.78 Intermediate Similarity NPC473219
0.78 Intermediate Similarity NPC474012
0.7791 Intermediate Similarity NPC16349
0.7791 Intermediate Similarity NPC222244
0.7789 Intermediate Similarity NPC174342
0.7789 Intermediate Similarity NPC288699
0.7788 Intermediate Similarity NPC322903
0.7788 Intermediate Similarity NPC473595
0.7788 Intermediate Similarity NPC473939
0.7778 Intermediate Similarity NPC474343
0.7778 Intermediate Similarity NPC195424
0.7778 Intermediate Similarity NPC84335
0.7778 Intermediate Similarity NPC38530
0.7755 Intermediate Similarity NPC473369
0.7755 Intermediate Similarity NPC183012
0.7753 Intermediate Similarity NPC35574
0.7745 Intermediate Similarity NPC471365
0.7745 Intermediate Similarity NPC471364
0.7745 Intermediate Similarity NPC474165
0.7745 Intermediate Similarity NPC120321
0.7745 Intermediate Similarity NPC69171
0.7745 Intermediate Similarity NPC132395
0.7742 Intermediate Similarity NPC65661
0.7742 Intermediate Similarity NPC78089
0.7732 Intermediate Similarity NPC248193
0.7732 Intermediate Similarity NPC109414
0.7732 Intermediate Similarity NPC115021
0.7727 Intermediate Similarity NPC235906
0.7723 Intermediate Similarity NPC303559
0.7708 Intermediate Similarity NPC469368
0.7708 Intermediate Similarity NPC8062
0.7708 Intermediate Similarity NPC51486
0.7708 Intermediate Similarity NPC161638
0.77 Intermediate Similarity NPC252295
0.77 Intermediate Similarity NPC54843
0.77 Intermediate Similarity NPC176845
0.77 Intermediate Similarity NPC264378
0.7692 Intermediate Similarity NPC42470
0.7692 Intermediate Similarity NPC301477
0.7692 Intermediate Similarity NPC475665
0.7692 Intermediate Similarity NPC281949
0.7692 Intermediate Similarity NPC25684
0.7692 Intermediate Similarity NPC282293
0.7684 Intermediate Similarity NPC469628
0.7684 Intermediate Similarity NPC471047
0.7684 Intermediate Similarity NPC475902
0.7684 Intermediate Similarity NPC475906
0.7684 Intermediate Similarity NPC469631
0.7684 Intermediate Similarity NPC472302
0.7684 Intermediate Similarity NPC469653
0.7677 Intermediate Similarity NPC234993
0.7677 Intermediate Similarity NPC134072
0.7677 Intermediate Similarity NPC242848
0.7677 Intermediate Similarity NPC112654
0.7667 Intermediate Similarity NPC150646
0.7667 Intermediate Similarity NPC469620
0.7667 Intermediate Similarity NPC469690
0.766 Intermediate Similarity NPC475461
0.766 Intermediate Similarity NPC107787
0.766 Intermediate Similarity NPC279859
0.766 Intermediate Similarity NPC261253
0.766 Intermediate Similarity NPC305475
0.766 Intermediate Similarity NPC38576
0.766 Intermediate Similarity NPC474045
0.766 Intermediate Similarity NPC261721
0.766 Intermediate Similarity NPC472863
0.7653 Intermediate Similarity NPC84893
0.7653 Intermediate Similarity NPC161998
0.7653 Intermediate Similarity NPC476415
0.7647 Intermediate Similarity NPC114540
0.7647 Intermediate Similarity NPC32577
0.7647 Intermediate Similarity NPC155332
0.7642 Intermediate Similarity NPC473975
0.7642 Intermediate Similarity NPC473594
0.7642 Intermediate Similarity NPC473843
0.7642 Intermediate Similarity NPC474586
0.7642 Intermediate Similarity NPC281624
0.764 Intermediate Similarity NPC316500
0.764 Intermediate Similarity NPC141789
0.764 Intermediate Similarity NPC476028
0.764 Intermediate Similarity NPC171204
0.7634 Intermediate Similarity NPC295799
0.7634 Intermediate Similarity NPC96055
0.7629 Intermediate Similarity NPC166110
0.7629 Intermediate Similarity NPC49420
0.7629 Intermediate Similarity NPC472814
0.7629 Intermediate Similarity NPC65513
0.7629 Intermediate Similarity NPC177037
0.7629 Intermediate Similarity NPC72845
0.7629 Intermediate Similarity NPC219874
0.7624 Intermediate Similarity NPC54705
0.7614 Intermediate Similarity NPC244166
0.7614 Intermediate Similarity NPC155587
0.7609 Intermediate Similarity NPC186276
0.7609 Intermediate Similarity NPC173609
0.7609 Intermediate Similarity NPC268122
0.7604 Intermediate Similarity NPC168131
0.7604 Intermediate Similarity NPC177141
0.76 Intermediate Similarity NPC2049
0.76 Intermediate Similarity NPC151681
0.76 Intermediate Similarity NPC132753
0.76 Intermediate Similarity NPC121402
0.76 Intermediate Similarity NPC224356
0.76 Intermediate Similarity NPC253826
0.76 Intermediate Similarity NPC175351
0.7596 Intermediate Similarity NPC16313
0.7596 Intermediate Similarity NPC475802
0.7596 Intermediate Similarity NPC9303
0.7596 Intermediate Similarity NPC477125
0.7582 Intermediate Similarity NPC281132
0.7582 Intermediate Similarity NPC304795
0.7576 Intermediate Similarity NPC209355
0.7576 Intermediate Similarity NPC33473
0.7573 Intermediate Similarity NPC254202

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476598 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
0.8 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD5737 Approved
0.7872 Intermediate Similarity NPD6672 Approved
0.7629 Intermediate Similarity NPD5693 Phase 1
0.7553 Intermediate Similarity NPD1694 Approved
0.7474 Intermediate Similarity NPD7334 Approved
0.7474 Intermediate Similarity NPD6684 Approved
0.7474 Intermediate Similarity NPD7521 Approved
0.7474 Intermediate Similarity NPD5330 Approved
0.7474 Intermediate Similarity NPD7146 Approved
0.7474 Intermediate Similarity NPD6409 Approved
0.7426 Intermediate Similarity NPD6083 Phase 2
0.7426 Intermediate Similarity NPD6084 Phase 2
0.7423 Intermediate Similarity NPD6904 Approved
0.7423 Intermediate Similarity NPD6080 Approved
0.7423 Intermediate Similarity NPD6673 Approved
0.74 Intermediate Similarity NPD5695 Phase 3
0.7374 Intermediate Similarity NPD6399 Phase 3
0.7353 Intermediate Similarity NPD5696 Approved
0.732 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD6903 Approved
0.73 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7900 Approved
0.7273 Intermediate Similarity NPD6050 Approved
0.7264 Intermediate Similarity NPD6675 Approved
0.7264 Intermediate Similarity NPD7128 Approved
0.7264 Intermediate Similarity NPD6402 Approved
0.7264 Intermediate Similarity NPD5739 Approved
0.7222 Intermediate Similarity NPD6372 Approved
0.7222 Intermediate Similarity NPD6373 Approved
0.7222 Intermediate Similarity NPD8039 Approved
0.7184 Intermediate Similarity NPD4225 Approved
0.7172 Intermediate Similarity NPD5692 Phase 3
0.7172 Intermediate Similarity NPD5785 Approved
0.713 Intermediate Similarity NPD6881 Approved
0.713 Intermediate Similarity NPD6899 Approved
0.713 Intermediate Similarity NPD7320 Approved
0.7129 Intermediate Similarity NPD7748 Approved
0.7113 Intermediate Similarity NPD6098 Approved
0.71 Intermediate Similarity NPD5694 Approved
0.7091 Intermediate Similarity NPD6650 Approved
0.7091 Intermediate Similarity NPD6649 Approved
0.7087 Intermediate Similarity NPD7902 Approved
0.708 Intermediate Similarity NPD7115 Discovery
0.7059 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5697 Approved
0.7037 Intermediate Similarity NPD5701 Approved
0.7019 Intermediate Similarity NPD7638 Approved
0.7 Intermediate Similarity NPD7102 Approved
0.7 Intermediate Similarity NPD7290 Approved
0.7 Intermediate Similarity NPD6883 Approved
0.6972 Remote Similarity NPD6686 Approved
0.6952 Remote Similarity NPD7639 Approved
0.6952 Remote Similarity NPD7640 Approved
0.6937 Remote Similarity NPD6847 Approved
0.6937 Remote Similarity NPD6617 Approved
0.6937 Remote Similarity NPD6869 Approved
0.6937 Remote Similarity NPD8130 Phase 1
0.6931 Remote Similarity NPD7515 Phase 2
0.6909 Remote Similarity NPD6012 Approved
0.6909 Remote Similarity NPD6013 Approved
0.6909 Remote Similarity NPD6014 Approved
0.6907 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6881 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8297 Approved
0.6875 Remote Similarity NPD5209 Approved
0.6875 Remote Similarity NPD6882 Approved
0.6842 Remote Similarity NPD4695 Discontinued
0.6837 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6832 Remote Similarity NPD46 Approved
0.6832 Remote Similarity NPD6698 Approved
0.6818 Remote Similarity NPD6011 Approved
0.6796 Remote Similarity NPD5282 Discontinued
0.6789 Remote Similarity NPD6008 Approved
0.6786 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6768 Remote Similarity NPD3618 Phase 1
0.6768 Remote Similarity NPD5279 Phase 3
0.6765 Remote Similarity NPD6411 Approved
0.6735 Remote Similarity NPD3668 Phase 3
0.6735 Remote Similarity NPD4786 Approved
0.6733 Remote Similarity NPD6051 Approved
0.6733 Remote Similarity NPD4753 Phase 2
0.6733 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5654 Approved
0.6727 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6701 Remote Similarity NPD3667 Approved
0.67 Remote Similarity NPD3573 Approved
0.6699 Remote Similarity NPD5779 Approved
0.6699 Remote Similarity NPD5778 Approved
0.6696 Remote Similarity NPD6371 Approved
0.6696 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5363 Approved
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD4697 Phase 3
0.6634 Remote Similarity NPD5208 Approved
0.6633 Remote Similarity NPD7154 Phase 3
0.6632 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4755 Approved
0.6604 Remote Similarity NPD5959 Approved
0.6579 Remote Similarity NPD6053 Discontinued
0.6577 Remote Similarity NPD6614 Approved
0.6571 Remote Similarity NPD5210 Approved
0.6571 Remote Similarity NPD4629 Approved
0.6569 Remote Similarity NPD1695 Approved
0.6569 Remote Similarity NPD5328 Approved
0.6569 Remote Similarity NPD6101 Approved
0.6569 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6566 Remote Similarity NPD3665 Phase 1
0.6566 Remote Similarity NPD3133 Approved
0.6566 Remote Similarity NPD3666 Approved
0.6552 Remote Similarity NPD6274 Approved
0.6552 Remote Similarity NPD6868 Approved
0.6531 Remote Similarity NPD4270 Approved
0.6531 Remote Similarity NPD4269 Approved
0.6526 Remote Similarity NPD4756 Discovery
0.6525 Remote Similarity NPD7100 Approved
0.6525 Remote Similarity NPD7101 Approved
0.6514 Remote Similarity NPD5211 Phase 2
0.6509 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5222 Approved
0.6509 Remote Similarity NPD5221 Approved
0.65 Remote Similarity NPD5329 Approved
0.6495 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6481 Remote Similarity NPD4696 Approved
0.6481 Remote Similarity NPD5285 Approved
0.6481 Remote Similarity NPD5286 Approved
0.6481 Remote Similarity NPD4700 Approved
0.6476 Remote Similarity NPD6001 Approved
0.6465 Remote Similarity NPD5362 Discontinued
0.6449 Remote Similarity NPD5173 Approved
0.6442 Remote Similarity NPD6079 Approved
0.6442 Remote Similarity NPD5281 Approved
0.6442 Remote Similarity NPD5284 Approved
0.6441 Remote Similarity NPD6335 Approved
0.6436 Remote Similarity NPD5786 Approved
0.6429 Remote Similarity NPD5369 Approved
0.6417 Remote Similarity NPD6909 Approved
0.6417 Remote Similarity NPD6908 Approved
0.6404 Remote Similarity NPD2685 Clinical (unspecified phase)
0.64 Remote Similarity NPD4197 Approved
0.6396 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5225 Approved
0.6364 Remote Similarity NPD7632 Discontinued
0.6364 Remote Similarity NPD6435 Approved
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6356 Remote Similarity NPD6317 Approved
0.6349 Remote Similarity NPD7260 Phase 2
0.6337 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6337 Remote Similarity NPD1696 Phase 3
0.6333 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6333 Remote Similarity NPD6319 Approved
0.6327 Remote Similarity NPD4252 Approved
0.6327 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6311 Remote Similarity NPD8328 Phase 3
0.6306 Remote Similarity NPD5174 Approved
0.6306 Remote Similarity NPD5175 Approved
0.6306 Remote Similarity NPD6052 Approved
0.6303 Remote Similarity NPD6313 Approved
0.6303 Remote Similarity NPD6314 Approved
0.6292 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6289 Remote Similarity NPD3617 Approved
0.6286 Remote Similarity NPD8034 Phase 2
0.6286 Remote Similarity NPD8035 Phase 2
0.6286 Remote Similarity NPD7637 Suspended
0.6283 Remote Similarity NPD6412 Phase 2
0.6275 Remote Similarity NPD5280 Approved
0.6275 Remote Similarity NPD4519 Discontinued
0.6275 Remote Similarity NPD4694 Approved
0.6275 Remote Similarity NPD4623 Approved
0.6275 Remote Similarity NPD5690 Phase 2
0.6273 Remote Similarity NPD5223 Approved
0.6261 Remote Similarity NPD2067 Discontinued
0.626 Remote Similarity NPD7492 Approved
0.6239 Remote Similarity NPD4632 Approved
0.6228 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6226 Remote Similarity NPD4202 Approved
0.6218 Remote Similarity NPD6009 Approved
0.621 Remote Similarity NPD7507 Approved
0.621 Remote Similarity NPD6616 Approved
0.6207 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6204 Remote Similarity NPD7732 Phase 3
0.62 Remote Similarity NPD4223 Phase 3
0.62 Remote Similarity NPD4221 Approved
0.6198 Remote Similarity NPD6059 Approved
0.6198 Remote Similarity NPD6054 Approved
0.6195 Remote Similarity NPD4767 Approved
0.6195 Remote Similarity NPD4768 Approved
0.619 Remote Similarity NPD7838 Discovery
0.6182 Remote Similarity NPD6648 Approved
0.6179 Remote Similarity NPD7604 Phase 2
0.6162 Remote Similarity NPD5368 Approved
0.6162 Remote Similarity NPD4821 Approved
0.6162 Remote Similarity NPD4822 Approved
0.6162 Remote Similarity NPD4819 Approved
0.6162 Remote Similarity NPD4820 Approved
0.6161 Remote Similarity NPD4754 Approved

Structure

External Identifiers

PubChem CID   21775681
ChEMBL   CHEMBL496433
ZINC  

Physicochemical Properties

Molecular Weight:  444.21
ALogP:  1.9782
MLogP:  3.44
XLogP:  1.886
# Rotatable Bonds:  11
Polar Surface Area:  95.97
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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