Natural Product: NPC476988

Natural Product ID:  NPC476988
Common Name:   Diacarnoxide D
IUPAC Name:   methyl (2S)-2-[(3R,6S)-6-methyl-6-[(E)-4-methyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-4-enyl]dioxan-3-yl]propanoate
Synonyms:   Diacarnoxide D
Molecular Formula:   C25H42O4
Standard InCHIKey:  GTRMWSMRZUVWBH-CDNXMLBASA-N
Standard InCHI:  InChI=1S/C25H42O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h11-12,20-22H,8-10,13-17H2,1-7H3/b18-12+/t20-,21?,22+,25-/m0/s1
Canonical SMILES:  COC(=O)[C@H]([C@H]1CC[C@](OO1)(C)CCC/C(=C/CC1C(=CCCC1(C)C)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
NPO12653 Diacarnus levii Species Podospongiidae Eukaryota at a depth of -10 M off the coast of Papua New Guinea 1998-JUN PMID[17253866]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition <= 30 % 17253866
NPT396 Cell Line T47D Homo sapiens Activity <= 30 % 17253866

  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 NPC476988 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
0.9333 High Similarity NPC476987
0.9333 High Similarity NPC59602
0.9333 High Similarity NPC152754
0.9231 High Similarity NPC172309
0.9231 High Similarity NPC117960
0.9231 High Similarity NPC14044
0.9211 High Similarity NPC476325
0.9211 High Similarity NPC476264
0.9136 High Similarity NPC262085
0.9079 High Similarity NPC476985
0.9079 High Similarity NPC475744
0.9079 High Similarity NPC474316
0.8974 High Similarity NPC268502
0.8974 High Similarity NPC254996
0.8902 High Similarity NPC476104
0.8889 High Similarity NPC475193
0.8889 High Similarity NPC120158
0.8861 High Similarity NPC476265
0.8861 High Similarity NPC274522
0.8816 High Similarity NPC330016
0.881 High Similarity NPC469866
0.881 High Similarity NPC471342
0.878 High Similarity NPC471344
0.8765 High Similarity NPC476983
0.8765 High Similarity NPC476100
0.8734 High Similarity NPC82488
0.8734 High Similarity NPC308545
0.8684 High Similarity NPC167145
0.8675 High Similarity NPC476982
0.8608 High Similarity NPC470905
0.8608 High Similarity NPC476986
0.859 High Similarity NPC474447
0.8452 Intermediate Similarity NPC475181
0.8434 Intermediate Similarity NPC471343
0.8415 Intermediate Similarity NPC474605
0.8415 Intermediate Similarity NPC476292
0.8415 Intermediate Similarity NPC475395
0.8415 Intermediate Similarity NPC476984
0.8375 Intermediate Similarity NPC321514
0.8354 Intermediate Similarity NPC239127
0.8354 Intermediate Similarity NPC469514
0.8293 Intermediate Similarity NPC327002
0.825 Intermediate Similarity NPC469867
0.8228 Intermediate Similarity NPC255060
0.8205 Intermediate Similarity NPC472018
0.8205 Intermediate Similarity NPC474543
0.8205 Intermediate Similarity NPC238425
0.8148 Intermediate Similarity NPC121200
0.8101 Intermediate Similarity NPC474551
0.8101 Intermediate Similarity NPC306928
0.8101 Intermediate Similarity NPC166797
0.8072 Intermediate Similarity NPC475481
0.8072 Intermediate Similarity NPC79277
0.8049 Intermediate Similarity NPC28319
0.8049 Intermediate Similarity NPC327674
0.8025 Intermediate Similarity NPC281296
0.8023 Intermediate Similarity NPC73038
0.8 Intermediate Similarity NPC469407
0.8 Intermediate Similarity NPC100391
0.7978 Intermediate Similarity NPC36491
0.7949 Intermediate Similarity NPC69462
0.7927 Intermediate Similarity NPC35574
0.7927 Intermediate Similarity NPC4827
0.7907 Intermediate Similarity NPC76333
0.7901 Intermediate Similarity NPC899
0.7901 Intermediate Similarity NPC266119
0.7882 Intermediate Similarity NPC477373
0.7857 Intermediate Similarity NPC476101
0.7841 Intermediate Similarity NPC294480
0.7826 Intermediate Similarity NPC132824
0.7821 Intermediate Similarity NPC107130
0.7816 Intermediate Similarity NPC324063
0.7805 Intermediate Similarity NPC472300
0.7805 Intermediate Similarity NPC122847
0.7802 Intermediate Similarity NPC78580
0.7802 Intermediate Similarity NPC23621
0.7802 Intermediate Similarity NPC184006
0.7778 Intermediate Similarity NPC282616
0.7778 Intermediate Similarity NPC471588
0.7778 Intermediate Similarity NPC288833
0.7778 Intermediate Similarity NPC60718
0.7778 Intermediate Similarity NPC6255
0.7778 Intermediate Similarity NPC324341
0.7778 Intermediate Similarity NPC228784
0.7778 Intermediate Similarity NPC155120
0.7778 Intermediate Similarity NPC966
0.7778 Intermediate Similarity NPC199445
0.7765 Intermediate Similarity NPC240302
0.7753 Intermediate Similarity NPC474679
0.7753 Intermediate Similarity NPC474700
0.7753 Intermediate Similarity NPC97577
0.7753 Intermediate Similarity NPC474570
0.7742 Intermediate Similarity NPC124246
0.7738 Intermediate Similarity NPC267517
0.7738 Intermediate Similarity NPC474978
0.7738 Intermediate Similarity NPC104545
0.7738 Intermediate Similarity NPC469920
0.7738 Intermediate Similarity NPC37038
0.7727 Intermediate Similarity NPC171722
0.7727 Intermediate Similarity NPC162107
0.7727 Intermediate Similarity NPC158141
0.7727 Intermediate Similarity NPC173089
0.7727 Intermediate Similarity NPC96496
0.7727 Intermediate Similarity NPC312215
0.7727 Intermediate Similarity NPC167877
0.7727 Intermediate Similarity NPC477926
0.7727 Intermediate Similarity NPC46912
0.7722 Intermediate Similarity NPC472017
0.7717 Intermediate Similarity NPC23241
0.7717 Intermediate Similarity NPC195715
0.7711 Intermediate Similarity NPC179028
0.7701 Intermediate Similarity NPC329738
0.7692 Intermediate Similarity NPC118490
0.7674 Intermediate Similarity NPC69469
0.7674 Intermediate Similarity NPC475989
0.7667 Intermediate Similarity NPC130278
0.7667 Intermediate Similarity NPC86372
0.7667 Intermediate Similarity NPC172361
0.766 Intermediate Similarity NPC174663
0.766 Intermediate Similarity NPC164349
0.7647 Intermediate Similarity NPC474955
0.7647 Intermediate Similarity NPC475951
0.7647 Intermediate Similarity NPC473420
0.7647 Intermediate Similarity NPC229584
0.7647 Intermediate Similarity NPC475665
0.7647 Intermediate Similarity NPC14203
0.764 Intermediate Similarity NPC474511
0.764 Intermediate Similarity NPC1753
0.764 Intermediate Similarity NPC477128
0.764 Intermediate Similarity NPC183546
0.7634 Intermediate Similarity NPC201657
0.7634 Intermediate Similarity NPC469528
0.7634 Intermediate Similarity NPC98874
0.7634 Intermediate Similarity NPC469369
0.7625 Intermediate Similarity NPC160817
0.7619 Intermediate Similarity NPC231431
0.7619 Intermediate Similarity NPC158565
0.7619 Intermediate Similarity NPC113363
0.7614 Intermediate Similarity NPC212843
0.7614 Intermediate Similarity NPC477479
0.7614 Intermediate Similarity NPC477478
0.7614 Intermediate Similarity NPC9892
0.7614 Intermediate Similarity NPC322159
0.7614 Intermediate Similarity NPC198761
0.7614 Intermediate Similarity NPC329943
0.7614 Intermediate Similarity NPC195640
0.7614 Intermediate Similarity NPC10005
0.7614 Intermediate Similarity NPC475753
0.7614 Intermediate Similarity NPC264127
0.7614 Intermediate Similarity NPC325594
0.7614 Intermediate Similarity NPC473226
0.7614 Intermediate Similarity NPC91525
0.7614 Intermediate Similarity NPC220478
0.7609 Intermediate Similarity NPC222047
0.7609 Intermediate Similarity NPC473280
0.7609 Intermediate Similarity NPC471078
0.7609 Intermediate Similarity NPC473431
0.7609 Intermediate Similarity NPC148964
0.7609 Intermediate Similarity NPC470697
0.7609 Intermediate Similarity NPC473435
0.7609 Intermediate Similarity NPC191412
0.7609 Intermediate Similarity NPC114159
0.7609 Intermediate Similarity NPC6818
0.7586 Intermediate Similarity NPC312660
0.7586 Intermediate Similarity NPC165064
0.7586 Intermediate Similarity NPC156981
0.7582 Intermediate Similarity NPC154101
0.7579 Intermediate Similarity NPC35239
0.7579 Intermediate Similarity NPC473576
0.7579 Intermediate Similarity NPC475156
0.7561 Intermediate Similarity NPC475861
0.7558 Intermediate Similarity NPC70479
0.7556 Intermediate Similarity NPC471222
0.7556 Intermediate Similarity NPC61543
0.7556 Intermediate Similarity NPC293048
0.7556 Intermediate Similarity NPC290972
0.7556 Intermediate Similarity NPC59263
0.7556 Intermediate Similarity NPC64872
0.7556 Intermediate Similarity NPC475049
0.7556 Intermediate Similarity NPC155479
0.7556 Intermediate Similarity NPC234346
0.7556 Intermediate Similarity NPC225585
0.7556 Intermediate Similarity NPC118193
0.7556 Intermediate Similarity NPC256902
0.7556 Intermediate Similarity NPC475921
0.7556 Intermediate Similarity NPC130520
0.7556 Intermediate Similarity NPC121798
0.7556 Intermediate Similarity NPC263393
0.7556 Intermediate Similarity NPC127689
0.7556 Intermediate Similarity NPC284561
0.7556 Intermediate Similarity NPC474704
0.7556 Intermediate Similarity NPC270768
0.7556 Intermediate Similarity NPC25906
0.7553 Intermediate Similarity NPC106112
0.7553 Intermediate Similarity NPC57416
0.7553 Intermediate Similarity NPC261935
0.7553 Intermediate Similarity NPC26413
0.7553 Intermediate Similarity NPC89225
0.7553 Intermediate Similarity NPC187933
0.7532 Intermediate Similarity NPC215987

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476988 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
0.7978 Intermediate Similarity NPD6411 Approved
0.7753 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6101 Approved
0.7614 Intermediate Similarity NPD7146 Approved
0.7614 Intermediate Similarity NPD7521 Approved
0.7614 Intermediate Similarity NPD7334 Approved
0.7614 Intermediate Similarity NPD6684 Approved
0.7614 Intermediate Similarity NPD6409 Approved
0.7614 Intermediate Similarity NPD5330 Approved
0.75 Intermediate Similarity NPD6399 Phase 3
0.7444 Intermediate Similarity NPD6903 Approved
0.7444 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5737 Approved
0.7444 Intermediate Similarity NPD6672 Approved
0.7419 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7900 Approved
0.7356 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD5779 Approved
0.7312 Intermediate Similarity NPD5778 Approved
0.7234 Intermediate Similarity NPD7748 Approved
0.7222 Intermediate Similarity NPD6098 Approved
0.7204 Intermediate Similarity NPD7515 Phase 2
0.7188 Intermediate Similarity NPD6083 Phase 2
0.7188 Intermediate Similarity NPD6084 Phase 2
0.7188 Intermediate Similarity NPD7902 Approved
0.7174 Intermediate Similarity NPD6904 Approved
0.7174 Intermediate Similarity NPD6673 Approved
0.7174 Intermediate Similarity NPD6080 Approved
0.7158 Intermediate Similarity NPD5695 Phase 3
0.7143 Intermediate Similarity NPD8039 Approved
0.7143 Intermediate Similarity NPD3573 Approved
0.7045 Intermediate Similarity NPD5369 Approved
0.703 Intermediate Similarity NPD6402 Approved
0.703 Intermediate Similarity NPD5739 Approved
0.703 Intermediate Similarity NPD6675 Approved
0.703 Intermediate Similarity NPD7128 Approved
0.7021 Intermediate Similarity NPD6050 Approved
0.7 Intermediate Similarity NPD4786 Approved
0.7 Intermediate Similarity NPD3668 Phase 3
0.6979 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3667 Approved
0.6939 Remote Similarity NPD5696 Approved
0.6915 Remote Similarity NPD5692 Phase 3
0.6893 Remote Similarity NPD6881 Approved
0.6893 Remote Similarity NPD6899 Approved
0.6893 Remote Similarity NPD7320 Approved
0.6882 Remote Similarity NPD5208 Approved
0.6875 Remote Similarity NPD5282 Discontinued
0.6842 Remote Similarity NPD5284 Approved
0.6842 Remote Similarity NPD5693 Phase 1
0.6842 Remote Similarity NPD5694 Approved
0.6842 Remote Similarity NPD5281 Approved
0.6827 Remote Similarity NPD6373 Approved
0.6827 Remote Similarity NPD6372 Approved
0.6813 Remote Similarity NPD3666 Approved
0.6813 Remote Similarity NPD3665 Phase 1
0.6813 Remote Similarity NPD3133 Approved
0.6809 Remote Similarity NPD6051 Approved
0.6809 Remote Similarity NPD4753 Phase 2
0.6796 Remote Similarity NPD5701 Approved
0.6796 Remote Similarity NPD5697 Approved
0.6778 Remote Similarity NPD6435 Approved
0.6762 Remote Similarity NPD7102 Approved
0.6762 Remote Similarity NPD7290 Approved
0.6762 Remote Similarity NPD6883 Approved
0.6742 Remote Similarity NPD5368 Approved
0.6742 Remote Similarity NPD4695 Discontinued
0.6739 Remote Similarity NPD1694 Approved
0.6737 Remote Similarity NPD5207 Approved
0.6731 Remote Similarity NPD6686 Approved
0.6705 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6008 Approved
0.6698 Remote Similarity NPD6847 Approved
0.6698 Remote Similarity NPD6650 Approved
0.6698 Remote Similarity NPD6617 Approved
0.6698 Remote Similarity NPD6649 Approved
0.6698 Remote Similarity NPD8130 Phase 1
0.6698 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD8035 Phase 2
0.6667 Remote Similarity NPD5279 Phase 3
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7637 Suspended
0.6636 Remote Similarity NPD6882 Approved
0.6636 Remote Similarity NPD8297 Approved
0.6635 Remote Similarity NPD6412 Phase 2
0.6633 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5328 Approved
0.6632 Remote Similarity NPD7285 Clinical (unspecified phase)
0.66 Remote Similarity NPD4225 Approved
0.6598 Remote Similarity NPD4202 Approved
0.6593 Remote Similarity NPD4223 Phase 3
0.6593 Remote Similarity NPD4270 Approved
0.6593 Remote Similarity NPD4221 Approved
0.6593 Remote Similarity NPD4269 Approved
0.6571 Remote Similarity NPD6011 Approved
0.6566 Remote Similarity NPD7732 Phase 3
0.6562 Remote Similarity NPD46 Approved
0.6562 Remote Similarity NPD6698 Approved
0.6562 Remote Similarity NPD5785 Approved
0.6559 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5329 Approved
0.6556 Remote Similarity NPD4821 Approved
0.6556 Remote Similarity NPD4819 Approved
0.6556 Remote Similarity NPD4822 Approved
0.6556 Remote Similarity NPD4820 Approved
0.6545 Remote Similarity NPD7115 Discovery
0.6542 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5286 Approved
0.6535 Remote Similarity NPD4700 Approved
0.6535 Remote Similarity NPD5285 Approved
0.6535 Remote Similarity NPD4696 Approved
0.6531 Remote Similarity NPD6001 Approved
0.6522 Remote Similarity NPD5362 Discontinued
0.6522 Remote Similarity NPD7154 Phase 3
0.6495 Remote Similarity NPD6079 Approved
0.6495 Remote Similarity NPD7983 Approved
0.6489 Remote Similarity NPD5786 Approved
0.6489 Remote Similarity NPD6422 Discontinued
0.6465 Remote Similarity NPD5210 Approved
0.6465 Remote Similarity NPD5654 Approved
0.6465 Remote Similarity NPD4629 Approved
0.6452 Remote Similarity NPD4197 Approved
0.6444 Remote Similarity NPD7645 Phase 2
0.6436 Remote Similarity NPD7638 Approved
0.6415 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5209 Approved
0.6408 Remote Similarity NPD5224 Approved
0.6408 Remote Similarity NPD5211 Phase 2
0.6408 Remote Similarity NPD5225 Approved
0.6408 Remote Similarity NPD4633 Approved
0.6408 Remote Similarity NPD5226 Approved
0.64 Remote Similarity NPD7839 Suspended
0.64 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6386 Remote Similarity NPD7331 Phase 2
0.6383 Remote Similarity NPD5363 Approved
0.6374 Remote Similarity NPD4252 Approved
0.6374 Remote Similarity NPD7525 Registered
0.6374 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6373 Remote Similarity NPD7640 Approved
0.6373 Remote Similarity NPD7639 Approved
0.6372 Remote Similarity NPD6319 Approved
0.6355 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6353 Remote Similarity NPD4137 Phase 3
0.6348 Remote Similarity NPD8328 Phase 3
0.6346 Remote Similarity NPD6052 Approved
0.6346 Remote Similarity NPD5174 Approved
0.6346 Remote Similarity NPD5175 Approved
0.6337 Remote Similarity NPD5959 Approved
0.6333 Remote Similarity NPD4271 Approved
0.6333 Remote Similarity NPD4268 Approved
0.633 Remote Similarity NPD6053 Discontinued
0.6321 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4519 Discontinued
0.6316 Remote Similarity NPD4623 Approved
0.6316 Remote Similarity NPD4693 Phase 3
0.6316 Remote Similarity NPD5690 Phase 2
0.6316 Remote Similarity NPD4138 Approved
0.6316 Remote Similarity NPD4694 Approved
0.6316 Remote Similarity NPD4688 Approved
0.6316 Remote Similarity NPD5280 Approved
0.6316 Remote Similarity NPD4689 Approved
0.6316 Remote Similarity NPD4690 Approved
0.6316 Remote Similarity NPD5205 Approved
0.6311 Remote Similarity NPD5223 Approved
0.6306 Remote Similarity NPD6274 Approved
0.6296 Remote Similarity NPD4634 Approved
0.6296 Remote Similarity NPD6371 Approved
0.6293 Remote Similarity NPD7492 Approved
0.6289 Remote Similarity NPD1695 Approved
0.6286 Remote Similarity NPD5141 Approved
0.6283 Remote Similarity NPD7101 Approved
0.6283 Remote Similarity NPD7100 Approved
0.6279 Remote Similarity NPD4691 Approved
0.6279 Remote Similarity NPD4747 Approved
0.6277 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6273 Remote Similarity NPD4632 Approved
0.6265 Remote Similarity NPD7341 Phase 2
0.625 Remote Similarity NPD6926 Approved
0.625 Remote Similarity NPD6924 Approved
0.625 Remote Similarity NPD5733 Approved
0.625 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6616 Approved
0.6238 Remote Similarity NPD5222 Approved
0.6238 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6238 Remote Similarity NPD7614 Phase 1
0.6238 Remote Similarity NPD4697 Phase 3
0.6238 Remote Similarity NPD5221 Approved
0.6235 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6054 Approved
0.6228 Remote Similarity NPD6059 Approved
0.6226 Remote Similarity NPD4768 Approved
0.6226 Remote Similarity NPD4767 Approved
0.6207 Remote Similarity NPD5777 Approved
0.6207 Remote Similarity NPD5276 Approved

Structure

External Identifiers

PubChem CID   16104924
ChEMBL   CHEMBL220073
ZINC  

Physicochemical Properties

Molecular Weight:  406.31
ALogP:  4.2329
MLogP:  3.77
XLogP:  7.569
# Rotatable Bonds:  16
Polar Surface Area:  44.76
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  29

Download Data

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Structure MOL file  
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Biological Activities  
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