Natural Product: NPC119467

Natural Product ID:  NPC119467
Common Name:   Isogosterone A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H42O5
Standard InCHIKey:  ZZVFELKCOKHBRK-GQFSTAKUSA-N
Standard InCHI:  InChI=1S/C29H42O5/c1-18(2)8-7-9-19(3)29-15-14-28(34-29)23-11-10-21-16-22(31)12-13-26(21,5)24(23)17-25(32-20(4)30)27(28,6)33-29/h12-13,16,18-19,23-25H,7-11,14-15,17H2,1-6H3/t19-,23-,24+,25+,26+,27+,28-,29+/m1/s1
Canonical SMILES:  CC(CCC[C@H]([C@]12CC[C@]3(O1)[C@](O2)(C)[C@@H](OC(=O)C)C[C@H]1[C@H]3CCC2=CC(=O)C=C[C@]12C)C)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
NPO32820 octocorals NA NA NA PMID[10579868]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2540 Organism Balanus amphitrite Balanus amphitrite EC50 = 2.2 ug/ml 1800636

  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 NPC119467 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 NPC475767
0.9184 High Similarity NPC474575
0.8654 High Similarity NPC474567
0.8269 Intermediate Similarity NPC51719
0.8173 Intermediate Similarity NPC85593
0.8173 Intermediate Similarity NPC31430
0.8091 Intermediate Similarity NPC243981
0.8077 Intermediate Similarity NPC120009
0.8037 Intermediate Similarity NPC206618
0.8019 Intermediate Similarity NPC471205
0.8019 Intermediate Similarity NPC122816
0.8 Intermediate Similarity NPC128488
0.8 Intermediate Similarity NPC304968
0.7963 Intermediate Similarity NPC177047
0.7963 Intermediate Similarity NPC253906
0.7944 Intermediate Similarity NPC38948
0.7944 Intermediate Similarity NPC258323
0.7941 Intermediate Similarity NPC113976
0.7941 Intermediate Similarity NPC198549
0.7938 Intermediate Similarity NPC264546
0.7925 Intermediate Similarity NPC471206
0.7921 Intermediate Similarity NPC286612
0.7921 Intermediate Similarity NPC230347
0.7921 Intermediate Similarity NPC275310
0.7921 Intermediate Similarity NPC471372
0.7921 Intermediate Similarity NPC471362
0.7921 Intermediate Similarity NPC472189
0.7905 Intermediate Similarity NPC281378
0.7895 Intermediate Similarity NPC204731
0.789 Intermediate Similarity NPC17791
0.7885 Intermediate Similarity NPC472554
0.7876 Intermediate Similarity NPC161065
0.7864 Intermediate Similarity NPC216260
0.7864 Intermediate Similarity NPC477876
0.7864 Intermediate Similarity NPC477875
0.7864 Intermediate Similarity NPC5358
0.7843 Intermediate Similarity NPC171598
0.7843 Intermediate Similarity NPC8954
0.7843 Intermediate Similarity NPC94905
0.7835 Intermediate Similarity NPC471369
0.783 Intermediate Similarity NPC470060
0.783 Intermediate Similarity NPC470057
0.783 Intermediate Similarity NPC470062
0.783 Intermediate Similarity NPC470061
0.783 Intermediate Similarity NPC470064
0.783 Intermediate Similarity NPC470059
0.783 Intermediate Similarity NPC470043
0.783 Intermediate Similarity NPC470058
0.7822 Intermediate Similarity NPC211238
0.7822 Intermediate Similarity NPC178949
0.7822 Intermediate Similarity NPC96736
0.7818 Intermediate Similarity NPC321272
0.7818 Intermediate Similarity NPC328074
0.7818 Intermediate Similarity NPC317460
0.7818 Intermediate Similarity NPC470025
0.7812 Intermediate Similarity NPC471367
0.781 Intermediate Similarity NPC11956
0.781 Intermediate Similarity NPC472552
0.7807 Intermediate Similarity NPC241192
0.7798 Intermediate Similarity NPC101450
0.7798 Intermediate Similarity NPC316708
0.7788 Intermediate Similarity NPC324598
0.7768 Intermediate Similarity NPC152199
0.7768 Intermediate Similarity NPC302471
0.7768 Intermediate Similarity NPC134869
0.7768 Intermediate Similarity NPC207217
0.7768 Intermediate Similarity NPC235539
0.7767 Intermediate Similarity NPC472188
0.7757 Intermediate Similarity NPC218158
0.7748 Intermediate Similarity NPC178981
0.7748 Intermediate Similarity NPC470027
0.7748 Intermediate Similarity NPC470120
0.7748 Intermediate Similarity NPC471627
0.7748 Intermediate Similarity NPC471173
0.7736 Intermediate Similarity NPC165608
0.7736 Intermediate Similarity NPC23584
0.7736 Intermediate Similarity NPC45897
0.7727 Intermediate Similarity NPC470026
0.7727 Intermediate Similarity NPC201992
0.7723 Intermediate Similarity NPC12297
0.7719 Intermediate Similarity NPC469488
0.7706 Intermediate Similarity NPC474242
0.7706 Intermediate Similarity NPC469370
0.7692 Intermediate Similarity NPC318917
0.7692 Intermediate Similarity NPC472186
0.7692 Intermediate Similarity NPC471366
0.7692 Intermediate Similarity NPC476800
0.7692 Intermediate Similarity NPC477928
0.7685 Intermediate Similarity NPC109376
0.7685 Intermediate Similarity NPC475074
0.7679 Intermediate Similarity NPC474906
0.7679 Intermediate Similarity NPC18547
0.7679 Intermediate Similarity NPC473798
0.7677 Intermediate Similarity NPC106332
0.767 Intermediate Similarity NPC475380
0.767 Intermediate Similarity NPC209297
0.767 Intermediate Similarity NPC471903
0.767 Intermediate Similarity NPC475178
0.767 Intermediate Similarity NPC194132
0.7664 Intermediate Similarity NPC164835
0.7664 Intermediate Similarity NPC228669
0.7658 Intermediate Similarity NPC474516
0.7658 Intermediate Similarity NPC11252
0.7658 Intermediate Similarity NPC289312
0.7658 Intermediate Similarity NPC222834
0.7653 Intermediate Similarity NPC214315
0.7653 Intermediate Similarity NPC471368
0.7647 Intermediate Similarity NPC305160
0.7647 Intermediate Similarity NPC140277
0.7647 Intermediate Similarity NPC473888
0.7642 Intermediate Similarity NPC154452
0.7642 Intermediate Similarity NPC214277
0.7642 Intermediate Similarity NPC470571
0.7642 Intermediate Similarity NPC22388
0.7642 Intermediate Similarity NPC150463
0.7642 Intermediate Similarity NPC472815
0.7636 Intermediate Similarity NPC5284
0.7632 Intermediate Similarity NPC188667
0.7632 Intermediate Similarity NPC204552
0.7632 Intermediate Similarity NPC297179
0.7619 Intermediate Similarity NPC473545
0.7619 Intermediate Similarity NPC470761
0.7619 Intermediate Similarity NPC473219
0.7619 Intermediate Similarity NPC472187
0.7619 Intermediate Similarity NPC38855
0.7619 Intermediate Similarity NPC473790
0.7619 Intermediate Similarity NPC473204
0.7615 Intermediate Similarity NPC224660
0.7615 Intermediate Similarity NPC181994
0.7615 Intermediate Similarity NPC94942
0.7615 Intermediate Similarity NPC135015
0.7615 Intermediate Similarity NPC470024
0.7615 Intermediate Similarity NPC128795
0.7615 Intermediate Similarity NPC50124
0.7615 Intermediate Similarity NPC217921
0.7615 Intermediate Similarity NPC48548
0.7611 Intermediate Similarity NPC40632
0.7611 Intermediate Similarity NPC471816
0.7611 Intermediate Similarity NPC96312
0.7611 Intermediate Similarity NPC251236
0.7611 Intermediate Similarity NPC328374
0.7603 Intermediate Similarity NPC254614
0.7603 Intermediate Similarity NPC100390
0.76 Intermediate Similarity NPC473058
0.76 Intermediate Similarity NPC170633
0.7596 Intermediate Similarity NPC475446
0.7596 Intermediate Similarity NPC309503
0.7596 Intermediate Similarity NPC239547
0.7596 Intermediate Similarity NPC155319
0.7596 Intermediate Similarity NPC91197
0.7596 Intermediate Similarity NPC311241
0.7596 Intermediate Similarity NPC475033
0.7596 Intermediate Similarity NPC475032
0.7596 Intermediate Similarity NPC96597
0.7596 Intermediate Similarity NPC125551
0.7593 Intermediate Similarity NPC239961
0.7593 Intermediate Similarity NPC474015
0.7593 Intermediate Similarity NPC470056
0.7593 Intermediate Similarity NPC102352
0.7593 Intermediate Similarity NPC470055
0.7593 Intermediate Similarity NPC470763
0.7593 Intermediate Similarity NPC172867
0.7593 Intermediate Similarity NPC473199
0.7593 Intermediate Similarity NPC477090
0.7593 Intermediate Similarity NPC470767
0.7593 Intermediate Similarity NPC291414
0.7589 Intermediate Similarity NPC255017
0.7589 Intermediate Similarity NPC144068
0.7589 Intermediate Similarity NPC51978
0.7589 Intermediate Similarity NPC49451
0.7583 Intermediate Similarity NPC264192
0.7579 Intermediate Similarity NPC471216
0.7579 Intermediate Similarity NPC269791
0.7579 Intermediate Similarity NPC471217
0.7573 Intermediate Similarity NPC276110
0.757 Intermediate Similarity NPC471887
0.757 Intermediate Similarity NPC471888
0.757 Intermediate Similarity NPC471885
0.757 Intermediate Similarity NPC473523
0.757 Intermediate Similarity NPC471886
0.757 Intermediate Similarity NPC475701
0.757 Intermediate Similarity NPC473070
0.7565 Intermediate Similarity NPC476529
0.7565 Intermediate Similarity NPC475775
0.7565 Intermediate Similarity NPC470914
0.7549 Intermediate Similarity NPC7349
0.7547 Intermediate Similarity NPC235920
0.7547 Intermediate Similarity NPC475617
0.7547 Intermediate Similarity NPC96784
0.7547 Intermediate Similarity NPC21064
0.7547 Intermediate Similarity NPC470054
0.7547 Intermediate Similarity NPC474022
0.7547 Intermediate Similarity NPC11974
0.7547 Intermediate Similarity NPC121072
0.7545 Intermediate Similarity NPC475030
0.7545 Intermediate Similarity NPC125361
0.7545 Intermediate Similarity NPC40728
0.7545 Intermediate Similarity NPC51925
0.7545 Intermediate Similarity NPC316974
0.7545 Intermediate Similarity NPC43976

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119467 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
0.7692 Intermediate Similarity NPD7492 Approved
0.7652 Intermediate Similarity NPD6054 Approved
0.7627 Intermediate Similarity NPD6616 Approved
0.7565 Intermediate Similarity NPD7516 Approved
0.7563 Intermediate Similarity NPD7078 Approved
0.7521 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD7736 Approved
0.7478 Intermediate Similarity NPD7328 Approved
0.7478 Intermediate Similarity NPD7327 Approved
0.7436 Intermediate Similarity NPD6016 Approved
0.7436 Intermediate Similarity NPD6015 Approved
0.7431 Intermediate Similarity NPD6008 Approved
0.7391 Intermediate Similarity NPD6009 Approved
0.7373 Intermediate Similarity NPD5988 Approved
0.735 Intermediate Similarity NPD6059 Approved
0.7345 Intermediate Similarity NPD6882 Approved
0.7288 Intermediate Similarity NPD8296 Approved
0.7288 Intermediate Similarity NPD7503 Approved
0.7288 Intermediate Similarity NPD8335 Approved
0.7288 Intermediate Similarity NPD8380 Approved
0.7288 Intermediate Similarity NPD8378 Approved
0.7288 Intermediate Similarity NPD8379 Approved
0.7273 Intermediate Similarity NPD8293 Discontinued
0.7207 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6412 Phase 2
0.7203 Intermediate Similarity NPD8294 Approved
0.7203 Intermediate Similarity NPD8377 Approved
0.7193 Intermediate Similarity NPD8297 Approved
0.7143 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6686 Approved
0.7143 Intermediate Similarity NPD6881 Approved
0.7143 Intermediate Similarity NPD6899 Approved
0.7143 Intermediate Similarity NPD7900 Approved
0.7143 Intermediate Similarity NPD8033 Approved
0.713 Intermediate Similarity NPD6648 Approved
0.713 Intermediate Similarity NPD4632 Approved
0.708 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5344 Discontinued
0.7059 Intermediate Similarity NPD6319 Approved
0.7059 Intermediate Similarity NPD3573 Approved
0.7054 Intermediate Similarity NPD5697 Approved
0.7037 Intermediate Similarity NPD7638 Approved
0.7018 Intermediate Similarity NPD6883 Approved
0.7018 Intermediate Similarity NPD7102 Approved
0.7018 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7290 Approved
0.6991 Remote Similarity NPD7320 Approved
0.699 Remote Similarity NPD6903 Approved
0.6981 Remote Similarity NPD7748 Approved
0.6972 Remote Similarity NPD7639 Approved
0.6972 Remote Similarity NPD7640 Approved
0.6964 Remote Similarity NPD5739 Approved
0.6964 Remote Similarity NPD6402 Approved
0.6964 Remote Similarity NPD6675 Approved
0.6964 Remote Similarity NPD7128 Approved
0.6961 Remote Similarity NPD7146 Approved
0.6961 Remote Similarity NPD7334 Approved
0.6961 Remote Similarity NPD6684 Approved
0.6961 Remote Similarity NPD5330 Approved
0.6961 Remote Similarity NPD7521 Approved
0.6961 Remote Similarity NPD6409 Approved
0.6957 Remote Similarity NPD6869 Approved
0.6957 Remote Similarity NPD8130 Phase 1
0.6957 Remote Similarity NPD6650 Approved
0.6957 Remote Similarity NPD6649 Approved
0.6957 Remote Similarity NPD6847 Approved
0.6957 Remote Similarity NPD6617 Approved
0.6944 Remote Similarity NPD7902 Approved
0.693 Remote Similarity NPD6013 Approved
0.693 Remote Similarity NPD6014 Approved
0.693 Remote Similarity NPD6012 Approved
0.6911 Remote Similarity NPD7507 Approved
0.6885 Remote Similarity NPD6067 Discontinued
0.6885 Remote Similarity NPD8328 Phase 3
0.6885 Remote Similarity NPD7604 Phase 2
0.6881 Remote Similarity NPD4225 Approved
0.688 Remote Similarity NPD7319 Approved
0.686 Remote Similarity NPD5983 Phase 2
0.6842 Remote Similarity NPD6011 Approved
0.6827 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6827 Remote Similarity NPD5737 Approved
0.6827 Remote Similarity NPD6672 Approved
0.6807 Remote Similarity NPD7115 Discovery
0.68 Remote Similarity NPD6033 Approved
0.6792 Remote Similarity NPD7515 Phase 2
0.6783 Remote Similarity NPD6372 Approved
0.6783 Remote Similarity NPD6373 Approved
0.6774 Remote Similarity NPD6336 Discontinued
0.6754 Remote Similarity NPD5701 Approved
0.6729 Remote Similarity NPD6399 Phase 3
0.6699 Remote Similarity NPD1694 Approved
0.6696 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6636 Remote Similarity NPD6084 Phase 2
0.6636 Remote Similarity NPD6079 Approved
0.6636 Remote Similarity NPD6083 Phase 2
0.6604 Remote Similarity NPD6904 Approved
0.6604 Remote Similarity NPD6673 Approved
0.6604 Remote Similarity NPD6080 Approved
0.6604 Remote Similarity NPD6051 Approved
0.6581 Remote Similarity NPD4634 Approved
0.6562 Remote Similarity NPD5956 Approved
0.6557 Remote Similarity NPD7101 Approved
0.6557 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD4633 Approved
0.6549 Remote Similarity NPD5226 Approved
0.6549 Remote Similarity NPD5224 Approved
0.6549 Remote Similarity NPD5211 Phase 2
0.6549 Remote Similarity NPD5225 Approved
0.6542 Remote Similarity NPD3168 Discontinued
0.6542 Remote Similarity NPD5207 Approved
0.6535 Remote Similarity NPD7525 Registered
0.6525 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6491 Remote Similarity NPD5174 Approved
0.6491 Remote Similarity NPD5175 Approved
0.6486 Remote Similarity NPD4755 Approved
0.6476 Remote Similarity NPD3618 Phase 1
0.6475 Remote Similarity NPD6335 Approved
0.6462 Remote Similarity NPD8338 Approved
0.646 Remote Similarity NPD5223 Approved
0.6455 Remote Similarity NPD5695 Phase 3
0.6452 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6449 Remote Similarity NPD5328 Approved
0.6446 Remote Similarity NPD6274 Approved
0.6436 Remote Similarity NPD7645 Phase 2
0.6436 Remote Similarity NPD4195 Approved
0.6435 Remote Similarity NPD5141 Approved
0.6429 Remote Similarity NPD5696 Approved
0.6422 Remote Similarity NPD4202 Approved
0.6417 Remote Similarity NPD8133 Approved
0.6415 Remote Similarity NPD7524 Approved
0.6408 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7632 Discontinued
0.6396 Remote Similarity NPD5222 Approved
0.6396 Remote Similarity NPD5221 Approved
0.6396 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6393 Remote Similarity NPD6317 Approved
0.6393 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6372 Remote Similarity NPD4700 Approved
0.6355 Remote Similarity NPD5208 Approved
0.6341 Remote Similarity NPD6314 Approved
0.6341 Remote Similarity NPD6313 Approved
0.6339 Remote Similarity NPD5173 Approved
0.633 Remote Similarity NPD6050 Approved
0.633 Remote Similarity NPD5694 Approved
0.633 Remote Similarity NPD5693 Phase 1
0.6321 Remote Similarity NPD6098 Approved
0.6311 Remote Similarity NPD6868 Approved
0.6286 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6283 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6271 Remote Similarity NPD4730 Approved
0.6271 Remote Similarity NPD4729 Approved
0.6239 Remote Similarity NPD5692 Phase 3
0.6216 Remote Similarity NPD5282 Discontinued
0.6207 Remote Similarity NPD6052 Approved
0.619 Remote Similarity NPD8517 Approved
0.619 Remote Similarity NPD6909 Approved
0.619 Remote Similarity NPD8516 Approved
0.619 Remote Similarity NPD6908 Approved
0.619 Remote Similarity NPD8515 Approved
0.619 Remote Similarity NPD6695 Phase 3
0.619 Remote Similarity NPD8513 Phase 3
0.6182 Remote Similarity NPD8034 Phase 2
0.6182 Remote Similarity NPD8035 Phase 2
0.6182 Remote Similarity NPD5281 Approved
0.6182 Remote Similarity NPD7637 Suspended
0.6182 Remote Similarity NPD5284 Approved
0.6168 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6167 Remote Similarity NPD5250 Approved
0.6167 Remote Similarity NPD5251 Approved
0.6167 Remote Similarity NPD5249 Phase 3
0.6167 Remote Similarity NPD5247 Approved
0.6167 Remote Similarity NPD5248 Approved
0.6161 Remote Similarity NPD5210 Approved
0.6161 Remote Similarity NPD4629 Approved
0.6154 Remote Similarity NPD8336 Approved
0.6154 Remote Similarity NPD8337 Approved
0.6147 Remote Similarity NPD4753 Phase 2
0.614 Remote Similarity NPD5290 Discontinued
0.6134 Remote Similarity NPD5128 Approved
0.6132 Remote Similarity NPD3668 Phase 3
0.6132 Remote Similarity NPD3665 Phase 1
0.6132 Remote Similarity NPD3133 Approved
0.6132 Remote Similarity NPD3666 Approved
0.6132 Remote Similarity NPD4786 Approved
0.6116 Remote Similarity NPD5217 Approved
0.6116 Remote Similarity NPD5216 Approved
0.6116 Remote Similarity NPD5215 Approved
0.6106 Remote Similarity NPD4697 Phase 3
0.6102 Remote Similarity NPD4767 Approved
0.6102 Remote Similarity NPD4768 Approved
0.6095 Remote Similarity NPD3667 Approved
0.6091 Remote Similarity NPD7838 Discovery
0.6068 Remote Similarity NPD4754 Approved
0.6066 Remote Similarity NPD6053 Discontinued

Structure

External Identifiers

PubChem CID   21589550
ChEMBL   CHEMBL519945
ZINC  

Physicochemical Properties

Molecular Weight:  470.30
ALogP:  1.1152
MLogP:  4.1
XLogP:  6.707
# Rotatable Bonds:  13
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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