Natural Product: NPC471994

Natural Product ID:  NPC471994
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H40O4
Standard InCHIKey:  VJNOAOVMGNCSPJ-WJDWYOEMSA-N
Standard InCHI:  InChI=1S/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25-,29+,30-/m0/s1
Canonical SMILES:  O=C1C=CC2=CC3=C(CC[C@H]2C(O1)(C)C)[C@]1([C@@](CC3)(C)[C@H](CC1)[C@@H]([C@@H]1CC=C(C(=O)O1)C)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
NPO32799 ganoderma sp. km01 Species Ganodermataceae Eukaryota PMID[24992637]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 6000 nM 25908515

  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 NPC471994 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 NPC166143
1.0 High Similarity NPC120351
0.9457 High Similarity NPC227865
0.9355 High Similarity NPC298233
0.9247 High Similarity NPC290802
0.9053 High Similarity NPC471993
0.9032 High Similarity NPC202705
0.8958 High Similarity NPC280566
0.8958 High Similarity NPC183570
0.8866 High Similarity NPC272632
0.87 High Similarity NPC475274
0.8681 High Similarity NPC177141
0.8614 High Similarity NPC181298
0.8587 High Similarity NPC273199
0.8529 High Similarity NPC262083
0.8529 High Similarity NPC284162
0.8529 High Similarity NPC255401
0.8529 High Similarity NPC471484
0.8431 Intermediate Similarity NPC238850
0.8421 Intermediate Similarity NPC281134
0.8252 Intermediate Similarity NPC15551
0.8229 Intermediate Similarity NPC33473
0.82 Intermediate Similarity NPC297617
0.8173 Intermediate Similarity NPC71680
0.8137 Intermediate Similarity NPC476958
0.8095 Intermediate Similarity NPC241477
0.8041 Intermediate Similarity NPC474909
0.8 Intermediate Similarity NPC469372
0.8 Intermediate Similarity NPC469595
0.8 Intermediate Similarity NPC310981
0.8 Intermediate Similarity NPC212679
0.8 Intermediate Similarity NPC220454
0.798 Intermediate Similarity NPC98868
0.7979 Intermediate Similarity NPC473879
0.7938 Intermediate Similarity NPC477129
0.7938 Intermediate Similarity NPC477130
0.7921 Intermediate Similarity NPC475320
0.7917 Intermediate Similarity NPC177641
0.7912 Intermediate Similarity NPC471218
0.7895 Intermediate Similarity NPC284561
0.7895 Intermediate Similarity NPC474844
0.7889 Intermediate Similarity NPC233332
0.7885 Intermediate Similarity NPC220155
0.7879 Intermediate Similarity NPC110937
0.7879 Intermediate Similarity NPC141401
0.7857 Intermediate Similarity NPC171395
0.7826 Intermediate Similarity NPC12283
0.7826 Intermediate Similarity NPC474193
0.7822 Intermediate Similarity NPC168319
0.7822 Intermediate Similarity NPC194028
0.7812 Intermediate Similarity NPC302280
0.781 Intermediate Similarity NPC228477
0.781 Intermediate Similarity NPC137911
0.78 Intermediate Similarity NPC92275
0.7778 Intermediate Similarity NPC190713
0.7767 Intermediate Similarity NPC165969
0.7755 Intermediate Similarity NPC38830
0.77 Intermediate Similarity NPC2049
0.77 Intermediate Similarity NPC99726
0.7692 Intermediate Similarity NPC268827
0.767 Intermediate Similarity NPC171014
0.7664 Intermediate Similarity NPC474315
0.7664 Intermediate Similarity NPC470076
0.766 Intermediate Similarity NPC472442
0.766 Intermediate Similarity NPC189311
0.7653 Intermediate Similarity NPC205034
0.7653 Intermediate Similarity NPC38232
0.7653 Intermediate Similarity NPC152778
0.7653 Intermediate Similarity NPC162615
0.7653 Intermediate Similarity NPC229976
0.7653 Intermediate Similarity NPC214697
0.7647 Intermediate Similarity NPC99411
0.7647 Intermediate Similarity NPC146822
0.7642 Intermediate Similarity NPC75389
0.7634 Intermediate Similarity NPC193198
0.7629 Intermediate Similarity NPC474842
0.7629 Intermediate Similarity NPC310479
0.7629 Intermediate Similarity NPC475965
0.7629 Intermediate Similarity NPC182136
0.7624 Intermediate Similarity NPC57079
0.7624 Intermediate Similarity NPC108368
0.7619 Intermediate Similarity NPC43063
0.7619 Intermediate Similarity NPC91034
0.7619 Intermediate Similarity NPC79298
0.7619 Intermediate Similarity NPC475294
0.7615 Intermediate Similarity NPC216665
0.7615 Intermediate Similarity NPC43213
0.7604 Intermediate Similarity NPC97884
0.7604 Intermediate Similarity NPC471956
0.7604 Intermediate Similarity NPC226863
0.7604 Intermediate Similarity NPC472220
0.76 Intermediate Similarity NPC16967
0.76 Intermediate Similarity NPC112654
0.7582 Intermediate Similarity NPC190211
0.7582 Intermediate Similarity NPC44083
0.7582 Intermediate Similarity NPC153987
0.7579 Intermediate Similarity NPC220478
0.7579 Intermediate Similarity NPC286153
0.7576 Intermediate Similarity NPC469491
0.7576 Intermediate Similarity NPC88507
0.7573 Intermediate Similarity NPC114540
0.7573 Intermediate Similarity NPC155332
0.7573 Intermediate Similarity NPC32577
0.757 Intermediate Similarity NPC37116
0.757 Intermediate Similarity NPC16270
0.757 Intermediate Similarity NPC473627
0.7551 Intermediate Similarity NPC212948
0.7551 Intermediate Similarity NPC234335
0.7551 Intermediate Similarity NPC303697
0.7551 Intermediate Similarity NPC190442
0.7549 Intermediate Similarity NPC13743
0.7549 Intermediate Similarity NPC241221
0.7549 Intermediate Similarity NPC98813
0.7547 Intermediate Similarity NPC275060
0.7526 Intermediate Similarity NPC210216
0.7526 Intermediate Similarity NPC146554
0.7524 Intermediate Similarity NPC295843
0.7524 Intermediate Similarity NPC189863
0.7524 Intermediate Similarity NPC266570
0.75 Intermediate Similarity NPC295347
0.75 Intermediate Similarity NPC473283
0.75 Intermediate Similarity NPC23584
0.75 Intermediate Similarity NPC476600
0.75 Intermediate Similarity NPC85742
0.75 Intermediate Similarity NPC329345
0.75 Intermediate Similarity NPC125925
0.75 Intermediate Similarity NPC470954
0.75 Intermediate Similarity NPC293052
0.75 Intermediate Similarity NPC475526
0.7477 Intermediate Similarity NPC476959
0.7475 Intermediate Similarity NPC475657
0.7474 Intermediate Similarity NPC471795
0.7474 Intermediate Similarity NPC470048
0.7474 Intermediate Similarity NPC474013
0.7473 Intermediate Similarity NPC474005
0.7473 Intermediate Similarity NPC184737
0.7473 Intermediate Similarity NPC105197
0.7471 Intermediate Similarity NPC469660
0.7451 Intermediate Similarity NPC166745
0.7451 Intermediate Similarity NPC235464
0.7451 Intermediate Similarity NPC181147
0.7451 Intermediate Similarity NPC252295
0.7451 Intermediate Similarity NPC218107
0.7449 Intermediate Similarity NPC280149
0.7449 Intermediate Similarity NPC221111
0.7447 Intermediate Similarity NPC22611
0.7447 Intermediate Similarity NPC474790
0.7447 Intermediate Similarity NPC477124
0.7447 Intermediate Similarity NPC49208
0.7447 Intermediate Similarity NPC118423
0.7447 Intermediate Similarity NPC474976
0.7447 Intermediate Similarity NPC23748
0.7447 Intermediate Similarity NPC474809
0.7447 Intermediate Similarity NPC472440
0.7444 Intermediate Similarity NPC4509
0.7444 Intermediate Similarity NPC476317
0.7431 Intermediate Similarity NPC44537
0.7431 Intermediate Similarity NPC191620
0.7431 Intermediate Similarity NPC236217
0.7429 Intermediate Similarity NPC309190
0.7429 Intermediate Similarity NPC189616
0.7429 Intermediate Similarity NPC472868
0.7426 Intermediate Similarity NPC307164
0.7426 Intermediate Similarity NPC311166
0.7426 Intermediate Similarity NPC473153
0.7423 Intermediate Similarity NPC472302
0.7423 Intermediate Similarity NPC93411
0.7423 Intermediate Similarity NPC215831
0.7423 Intermediate Similarity NPC477128
0.7419 Intermediate Similarity NPC25554
0.7407 Intermediate Similarity NPC29133
0.7407 Intermediate Similarity NPC103491
0.7404 Intermediate Similarity NPC320447
0.7404 Intermediate Similarity NPC11956
0.74 Intermediate Similarity NPC279410
0.74 Intermediate Similarity NPC191521
0.74 Intermediate Similarity NPC104925
0.74 Intermediate Similarity NPC298973
0.74 Intermediate Similarity NPC119562
0.74 Intermediate Similarity NPC201725
0.7396 Intermediate Similarity NPC472863
0.7396 Intermediate Similarity NPC264127
0.7396 Intermediate Similarity NPC471219
0.7396 Intermediate Similarity NPC168248
0.7391 Intermediate Similarity NPC242767
0.7387 Intermediate Similarity NPC470075
0.7383 Intermediate Similarity NPC137462
0.7383 Intermediate Similarity NPC304276
0.7383 Intermediate Similarity NPC475418
0.7383 Intermediate Similarity NPC473482
0.7383 Intermediate Similarity NPC318363
0.7379 Intermediate Similarity NPC266955
0.7379 Intermediate Similarity NPC470906
0.7374 Intermediate Similarity NPC204341
0.7374 Intermediate Similarity NPC218301
0.7374 Intermediate Similarity NPC473986
0.7374 Intermediate Similarity NPC474018
0.7368 Intermediate Similarity NPC96055
0.7368 Intermediate Similarity NPC100391
0.7364 Intermediate Similarity NPC122056

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471994 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
0.7708 Intermediate Similarity NPD6051 Approved
0.734 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6672 Approved
0.7245 Intermediate Similarity NPD5737 Approved
0.7216 Intermediate Similarity NPD7146 Approved
0.7216 Intermediate Similarity NPD6684 Approved
0.7216 Intermediate Similarity NPD6409 Approved
0.7216 Intermediate Similarity NPD5330 Approved
0.7216 Intermediate Similarity NPD7521 Approved
0.7216 Intermediate Similarity NPD7334 Approved
0.72 Intermediate Similarity NPD5693 Phase 1
0.72 Intermediate Similarity NPD5694 Approved
0.72 Intermediate Similarity NPD6050 Approved
0.7168 Intermediate Similarity NPD7115 Discovery
0.7115 Intermediate Similarity NPD7638 Approved
0.7113 Intermediate Similarity NPD1694 Approved
0.71 Intermediate Similarity NPD5207 Approved
0.71 Intermediate Similarity NPD5692 Phase 3
0.7071 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6903 Approved
0.7048 Intermediate Similarity NPD7640 Approved
0.7048 Intermediate Similarity NPD7639 Approved
0.703 Intermediate Similarity NPD7637 Suspended
0.7 Intermediate Similarity NPD6673 Approved
0.7 Intermediate Similarity NPD6904 Approved
0.7 Intermediate Similarity NPD6080 Approved
0.6979 Remote Similarity NPD5209 Approved
0.6964 Remote Similarity NPD6053 Discontinued
0.6961 Remote Similarity NPD6399 Phase 3
0.6957 Remote Similarity NPD8039 Approved
0.6923 Remote Similarity NPD7503 Approved
0.6863 Remote Similarity NPD5281 Approved
0.6863 Remote Similarity NPD5284 Approved
0.6857 Remote Similarity NPD6083 Phase 2
0.6857 Remote Similarity NPD6084 Phase 2
0.6837 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6827 Remote Similarity NPD5695 Phase 3
0.6792 Remote Similarity NPD4225 Approved
0.6782 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5785 Approved
0.6757 Remote Similarity NPD6881 Approved
0.6757 Remote Similarity NPD6899 Approved
0.6735 Remote Similarity NPD6695 Phase 3
0.6733 Remote Similarity NPD5208 Approved
0.67 Remote Similarity NPD6098 Approved
0.6667 Remote Similarity NPD6924 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD6926 Approved
0.6667 Remote Similarity NPD5654 Approved
0.6667 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4195 Approved
0.6637 Remote Similarity NPD7102 Approved
0.6637 Remote Similarity NPD7290 Approved
0.6637 Remote Similarity NPD6883 Approved
0.6636 Remote Similarity NPD5696 Approved
0.6607 Remote Similarity NPD6011 Approved
0.6602 Remote Similarity NPD7838 Discovery
0.6579 Remote Similarity NPD6650 Approved
0.6579 Remote Similarity NPD6847 Approved
0.6579 Remote Similarity NPD8130 Phase 1
0.6579 Remote Similarity NPD6649 Approved
0.6579 Remote Similarity NPD6869 Approved
0.6579 Remote Similarity NPD6617 Approved
0.6577 Remote Similarity NPD5739 Approved
0.6577 Remote Similarity NPD7128 Approved
0.6577 Remote Similarity NPD6675 Approved
0.6577 Remote Similarity NPD6402 Approved
0.6577 Remote Similarity NPD6008 Approved
0.6574 Remote Similarity NPD6648 Approved
0.6549 Remote Similarity NPD6012 Approved
0.6549 Remote Similarity NPD6013 Approved
0.6549 Remote Similarity NPD6014 Approved
0.6542 Remote Similarity NPD5959 Approved
0.6538 Remote Similarity NPD6079 Approved
0.6538 Remote Similarity NPD6411 Approved
0.6535 Remote Similarity NPD5279 Phase 3
0.6526 Remote Similarity NPD6933 Approved
0.6522 Remote Similarity NPD6882 Approved
0.6522 Remote Similarity NPD8297 Approved
0.6517 Remote Similarity NPD2685 Clinical (unspecified phase)
0.65 Remote Similarity NPD4786 Approved
0.6491 Remote Similarity NPD6371 Approved
0.6481 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5778 Approved
0.6476 Remote Similarity NPD5779 Approved
0.6471 Remote Similarity NPD7750 Discontinued
0.6471 Remote Similarity NPD3573 Approved
0.6471 Remote Similarity NPD7524 Approved
0.646 Remote Similarity NPD7320 Approved
0.6455 Remote Similarity NPD7632 Discontinued
0.6436 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6931 Approved
0.6429 Remote Similarity NPD7514 Phase 3
0.6429 Remote Similarity NPD6930 Phase 2
0.6422 Remote Similarity NPD6404 Discontinued
0.6421 Remote Similarity NPD6942 Approved
0.6421 Remote Similarity NPD7339 Approved
0.6415 Remote Similarity NPD6001 Approved
0.6415 Remote Similarity NPD7900 Approved
0.6415 Remote Similarity NPD7748 Approved
0.6415 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6373 Approved
0.6404 Remote Similarity NPD6372 Approved
0.64 Remote Similarity NPD5362 Discontinued
0.6392 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5280 Approved
0.6373 Remote Similarity NPD4694 Approved
0.6373 Remote Similarity NPD5690 Phase 2
0.6372 Remote Similarity NPD6614 Approved
0.6372 Remote Similarity NPD5701 Approved
0.6355 Remote Similarity NPD5210 Approved
0.6355 Remote Similarity NPD4629 Approved
0.6355 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6346 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6346 Remote Similarity NPD1695 Approved
0.6346 Remote Similarity NPD6101 Approved
0.6346 Remote Similarity NPD5328 Approved
0.6346 Remote Similarity NPD4753 Phase 2
0.6344 Remote Similarity NPD7143 Approved
0.6344 Remote Similarity NPD7144 Approved
0.6337 Remote Similarity NPD3666 Approved
0.6337 Remote Similarity NPD3665 Phase 1
0.6337 Remote Similarity NPD3668 Phase 3
0.6337 Remote Similarity NPD3133 Approved
0.6327 Remote Similarity NPD6929 Approved
0.6316 Remote Similarity NPD4785 Approved
0.6316 Remote Similarity NPD5733 Approved
0.6316 Remote Similarity NPD4784 Approved
0.6316 Remote Similarity NPD6686 Approved
0.6316 Remote Similarity NPD4687 Approved
0.6316 Remote Similarity NPD4058 Approved
0.6306 Remote Similarity NPD5211 Phase 2
0.63 Remote Similarity NPD4223 Phase 3
0.63 Remote Similarity NPD3667 Approved
0.63 Remote Similarity NPD4221 Approved
0.6299 Remote Similarity NPD7260 Phase 2
0.6296 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5222 Approved
0.6296 Remote Similarity NPD5221 Approved
0.6293 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6289 Remote Similarity NPD6932 Approved
0.6277 Remote Similarity NPD7150 Approved
0.6277 Remote Similarity NPD7151 Approved
0.6277 Remote Similarity NPD7152 Approved
0.6275 Remote Similarity NPD5329 Approved
0.6275 Remote Similarity NPD5363 Approved
0.6273 Remote Similarity NPD5286 Approved
0.6273 Remote Similarity NPD5285 Approved
0.6273 Remote Similarity NPD4696 Approved
0.6263 Remote Similarity NPD4821 Approved
0.6263 Remote Similarity NPD4819 Approved
0.6263 Remote Similarity NPD4822 Approved
0.6263 Remote Similarity NPD4820 Approved
0.6263 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7525 Registered
0.6263 Remote Similarity NPD7332 Phase 2
0.625 Remote Similarity NPD8264 Approved
0.625 Remote Similarity NPD6052 Approved
0.625 Remote Similarity NPD7328 Approved
0.625 Remote Similarity NPD7327 Approved
0.625 Remote Similarity NPD6335 Approved
0.625 Remote Similarity NPD4518 Approved
0.6239 Remote Similarity NPD5173 Approved
0.6239 Remote Similarity NPD7902 Approved
0.6238 Remote Similarity NPD5332 Approved
0.6238 Remote Similarity NPD5331 Approved
0.6237 Remote Similarity NPD6922 Approved
0.6237 Remote Similarity NPD6923 Approved
0.623 Remote Similarity NPD8033 Approved
0.6226 Remote Similarity NPD7515 Phase 2
0.6226 Remote Similarity NPD7087 Discontinued
0.6224 Remote Similarity NPD7145 Approved
0.6218 Remote Similarity NPD6868 Approved
0.6216 Remote Similarity NPD5223 Approved
0.6216 Remote Similarity NPD5344 Discontinued
0.6214 Remote Similarity NPD3618 Phase 1
0.62 Remote Similarity NPD6902 Approved
0.62 Remote Similarity NPD4790 Discontinued
0.6198 Remote Similarity NPD7516 Approved
0.6198 Remote Similarity NPD7101 Approved
0.6198 Remote Similarity NPD7100 Approved
0.6195 Remote Similarity NPD5141 Approved
0.619 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6186 Remote Similarity NPD7094 Approved
0.6186 Remote Similarity NPD4632 Approved
0.6186 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6858 Approved
0.6176 Remote Similarity NPD4197 Approved
0.6168 Remote Similarity NPD4202 Approved
0.6167 Remote Similarity NPD6317 Approved
0.6161 Remote Similarity NPD5226 Approved
0.6161 Remote Similarity NPD4633 Approved
0.6161 Remote Similarity NPD5225 Approved
0.6161 Remote Similarity NPD5224 Approved
0.6154 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6148 Remote Similarity NPD8294 Approved
0.6148 Remote Similarity NPD8377 Approved
0.6129 Remote Similarity NPD7457 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315155
ZINC  

Physicochemical Properties

Molecular Weight:  464.29
ALogP:  3.6112
MLogP:  4.32
XLogP:  6.853
# Rotatable Bonds:  8
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  34

Download Data

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