Natural Product: NPC119001

Natural Product ID:  NPC119001
Common Name:   Dendocarbin C
IUPAC Name:   (1R,5S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1,5-diol
Synonyms:   Dendocarbin C
Molecular Formula:   C15H24O3
Standard InCHIKey:  VEMGLTHUTMFAFP-GGAZOKNXSA-N
Standard InCHI:  InChI=1S/C15H24O3/c1-14(2)5-4-6-15(3)11-9(8-18-13(11)17)7-10(16)12(14)15/h7,10-13,16-17H,4-6,8H2,1-3H3/t10-,11+,12-,13+,15+/m0/s1
Canonical SMILES:  O[C@@H]1OCC2=C[C@@H]([C@@H]3[C@]([C@@H]12)(C)CCCC3(C)C)O
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
NPO8660 Dendrodoris carbunculosa Species Dendrodorididae Eukaryota Amatsu-kominato, Boso Peninsula, central Japan (35 07N, 140 11E) 1999-NOV PMID[11421732]
NPO6857 Actinidia eriantha Species Actinidiaceae Eukaryota UNPD*
NPO7474 Sicya macularia Species Geometridae Eukaryota UNPD*
NPO24628 Lamium galeobdolon Species Lamiaceae Eukaryota UNPD*
NPO7919 Hedysarum sericeum Species Fabaceae Eukaryota UNPD*
NPO8660 Dendrodoris carbunculosa Species Dendrodorididae Eukaryota UNPD*
NPO578 Eriope blanchetii Species Lamiaceae Eukaryota UNPD*
NPO5987 Hypericum yojiroanum Species Hypericaceae Eukaryota UNPD*
NPO5268 Chenopodium hircinum Species Chenopodiaceae Eukaryota UNPD*
NPO1548 Nardia succulenta Species Solenostomataceae Eukaryota UNPD*
NPO2429 Gracilariopsis lemaneiformis Species Gracilariaceae Eukaryota UNPD*
NPO7781 Piper scutifolium Species Piperaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 > 25 ug/ml 11421732

  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 NPC119001 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
0.9405 High Similarity NPC470817
0.9286 High Similarity NPC470819
0.9241 High Similarity NPC17550
0.8889 High Similarity NPC206062
0.8864 High Similarity NPC189513
0.8778 High Similarity NPC98112
0.8764 High Similarity NPC477969
0.8764 High Similarity NPC100892
0.8764 High Similarity NPC135224
0.8764 High Similarity NPC477970
0.8675 High Similarity NPC109938
0.8675 High Similarity NPC122945
0.8488 Intermediate Similarity NPC173917
0.8387 Intermediate Similarity NPC477968
0.8387 Intermediate Similarity NPC219285
0.8387 Intermediate Similarity NPC477972
0.8387 Intermediate Similarity NPC228251
0.8387 Intermediate Similarity NPC477971
0.8387 Intermediate Similarity NPC20113
0.8387 Intermediate Similarity NPC161527
0.8256 Intermediate Similarity NPC46320
0.8256 Intermediate Similarity NPC83702
0.8222 Intermediate Similarity NPC302584
0.8211 Intermediate Similarity NPC471363
0.8211 Intermediate Similarity NPC238397
0.8202 Intermediate Similarity NPC470734
0.8161 Intermediate Similarity NPC42586
0.8161 Intermediate Similarity NPC473251
0.8132 Intermediate Similarity NPC67398
0.8132 Intermediate Similarity NPC91654
0.8132 Intermediate Similarity NPC474792
0.8125 Intermediate Similarity NPC127933
0.8125 Intermediate Similarity NPC134270
0.8125 Intermediate Similarity NPC7613
0.8125 Intermediate Similarity NPC475889
0.8125 Intermediate Similarity NPC7644
0.8111 Intermediate Similarity NPC469403
0.8111 Intermediate Similarity NPC159876
0.809 Intermediate Similarity NPC475991
0.8068 Intermediate Similarity NPC323209
0.8065 Intermediate Similarity NPC165632
0.8043 Intermediate Similarity NPC88507
0.8043 Intermediate Similarity NPC298973
0.8043 Intermediate Similarity NPC104925
0.8041 Intermediate Similarity NPC81567
0.8041 Intermediate Similarity NPC201880
0.8041 Intermediate Similarity NPC264867
0.8041 Intermediate Similarity NPC470321
0.8041 Intermediate Similarity NPC222161
0.8041 Intermediate Similarity NPC473207
0.8021 Intermediate Similarity NPC471482
0.8021 Intermediate Similarity NPC471889
0.8021 Intermediate Similarity NPC300399
0.8 Intermediate Similarity NPC324841
0.8 Intermediate Similarity NPC477917
0.8 Intermediate Similarity NPC473058
0.8 Intermediate Similarity NPC469942
0.798 Intermediate Similarity NPC470024
0.7959 Intermediate Similarity NPC252296
0.7959 Intermediate Similarity NPC172867
0.7957 Intermediate Similarity NPC471372
0.7957 Intermediate Similarity NPC471362
0.7957 Intermediate Similarity NPC472189
0.7938 Intermediate Similarity NPC471887
0.7938 Intermediate Similarity NPC471886
0.7938 Intermediate Similarity NPC471888
0.7938 Intermediate Similarity NPC471885
0.7938 Intermediate Similarity NPC471450
0.7935 Intermediate Similarity NPC166346
0.7917 Intermediate Similarity NPC21568
0.7917 Intermediate Similarity NPC470434
0.7917 Intermediate Similarity NPC285231
0.7912 Intermediate Similarity NPC220216
0.7889 Intermediate Similarity NPC472809
0.7889 Intermediate Similarity NPC472810
0.7882 Intermediate Similarity NPC242767
0.7879 Intermediate Similarity NPC109376
0.7879 Intermediate Similarity NPC184512
0.7879 Intermediate Similarity NPC88013
0.7879 Intermediate Similarity NPC125423
0.7872 Intermediate Similarity NPC8954
0.7872 Intermediate Similarity NPC94905
0.7872 Intermediate Similarity NPC311166
0.7872 Intermediate Similarity NPC171598
0.7865 Intermediate Similarity NPC255143
0.7865 Intermediate Similarity NPC471219
0.7857 Intermediate Similarity NPC93352
0.7849 Intermediate Similarity NPC250075
0.7849 Intermediate Similarity NPC469697
0.7835 Intermediate Similarity NPC37207
0.7826 Intermediate Similarity NPC472811
0.7826 Intermediate Similarity NPC124374
0.7826 Intermediate Similarity NPC234335
0.7816 Intermediate Similarity NPC155521
0.7812 Intermediate Similarity NPC477716
0.7812 Intermediate Similarity NPC477721
0.7812 Intermediate Similarity NPC64348
0.7802 Intermediate Similarity NPC261320
0.7802 Intermediate Similarity NPC293044
0.7802 Intermediate Similarity NPC246028
0.78 Intermediate Similarity NPC128795
0.78 Intermediate Similarity NPC224660
0.78 Intermediate Similarity NPC311223
0.78 Intermediate Similarity NPC38948
0.78 Intermediate Similarity NPC217921
0.78 Intermediate Similarity NPC135015
0.78 Intermediate Similarity NPC48548
0.7789 Intermediate Similarity NPC309503
0.7789 Intermediate Similarity NPC96597
0.7789 Intermediate Similarity NPC125551
0.7789 Intermediate Similarity NPC91197
0.7789 Intermediate Similarity NPC472188
0.7789 Intermediate Similarity NPC76266
0.7789 Intermediate Similarity NPC477718
0.7789 Intermediate Similarity NPC477719
0.7789 Intermediate Similarity NPC26307
0.7789 Intermediate Similarity NPC239547
0.7789 Intermediate Similarity NPC155319
0.7778 Intermediate Similarity NPC471796
0.7778 Intermediate Similarity NPC34834
0.7778 Intermediate Similarity NPC476948
0.7766 Intermediate Similarity NPC275310
0.7766 Intermediate Similarity NPC286612
0.7766 Intermediate Similarity NPC230347
0.7755 Intermediate Similarity NPC120009
0.7745 Intermediate Similarity NPC17791
0.7742 Intermediate Similarity NPC99653
0.7742 Intermediate Similarity NPC242419
0.7742 Intermediate Similarity NPC472812
0.7742 Intermediate Similarity NPC235126
0.7732 Intermediate Similarity NPC477717
0.7732 Intermediate Similarity NPC176406
0.7723 Intermediate Similarity NPC40728
0.7723 Intermediate Similarity NPC206618
0.7723 Intermediate Similarity NPC316974
0.7722 Intermediate Similarity NPC202017
0.7717 Intermediate Similarity NPC295668
0.7708 Intermediate Similarity NPC471366
0.7708 Intermediate Similarity NPC318917
0.7708 Intermediate Similarity NPC472186
0.7708 Intermediate Similarity NPC476800
0.7708 Intermediate Similarity NPC23364
0.7701 Intermediate Similarity NPC474731
0.7701 Intermediate Similarity NPC474752
0.7701 Intermediate Similarity NPC209620
0.7701 Intermediate Similarity NPC82986
0.7701 Intermediate Similarity NPC7505
0.7701 Intermediate Similarity NPC23852
0.7701 Intermediate Similarity NPC474759
0.7701 Intermediate Similarity NPC476646
0.7701 Intermediate Similarity NPC474683
0.77 Intermediate Similarity NPC33053
0.7692 Intermediate Similarity NPC474629
0.7684 Intermediate Similarity NPC162346
0.7684 Intermediate Similarity NPC90583
0.7677 Intermediate Similarity NPC75608
0.767 Intermediate Similarity NPC328074
0.767 Intermediate Similarity NPC321272
0.767 Intermediate Similarity NPC317460
0.767 Intermediate Similarity NPC470025
0.7667 Intermediate Similarity NPC118266
0.7667 Intermediate Similarity NPC329692
0.766 Intermediate Similarity NPC472360
0.766 Intermediate Similarity NPC470255
0.766 Intermediate Similarity NPC144202
0.766 Intermediate Similarity NPC472416
0.7654 Intermediate Similarity NPC474248
0.7653 Intermediate Similarity NPC472815
0.7647 Intermediate Similarity NPC119550
0.7647 Intermediate Similarity NPC316708
0.7647 Intermediate Similarity NPC235014
0.764 Intermediate Similarity NPC319238
0.764 Intermediate Similarity NPC102048
0.7634 Intermediate Similarity NPC477122
0.7629 Intermediate Similarity NPC473204
0.7629 Intermediate Similarity NPC473545
0.7629 Intermediate Similarity NPC472187
0.7614 Intermediate Similarity NPC50964
0.7609 Intermediate Similarity NPC309310
0.7609 Intermediate Similarity NPC299527
0.7604 Intermediate Similarity NPC240372
0.7604 Intermediate Similarity NPC473890
0.7604 Intermediate Similarity NPC243728
0.76 Intermediate Similarity NPC218158
0.7596 Intermediate Similarity NPC470027
0.7596 Intermediate Similarity NPC474410
0.7596 Intermediate Similarity NPC293658
0.7586 Intermediate Similarity NPC96362
0.7586 Intermediate Similarity NPC76054
0.7582 Intermediate Similarity NPC474832
0.7582 Intermediate Similarity NPC471779
0.7579 Intermediate Similarity NPC476894
0.7579 Intermediate Similarity NPC472441
0.7576 Intermediate Similarity NPC473124
0.7576 Intermediate Similarity NPC473123
0.7573 Intermediate Similarity NPC470026
0.7561 Intermediate Similarity NPC92801
0.7558 Intermediate Similarity NPC470944
0.7556 Intermediate Similarity NPC471795
0.7556 Intermediate Similarity NPC266511

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119001 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
0.7253 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6695 Phase 3
0.7126 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6686 Approved
0.71 Intermediate Similarity NPD7639 Approved
0.71 Intermediate Similarity NPD7640 Approved
0.7079 Intermediate Similarity NPD6929 Approved
0.7011 Intermediate Similarity NPD7339 Approved
0.7011 Intermediate Similarity NPD6942 Approved
0.7 Intermediate Similarity NPD7638 Approved
0.7 Intermediate Similarity NPD6930 Phase 2
0.7 Intermediate Similarity NPD6931 Approved
0.6857 Remote Similarity NPD6412 Phase 2
0.6854 Remote Similarity NPD5776 Phase 2
0.6854 Remote Similarity NPD6925 Approved
0.6842 Remote Similarity NPD7750 Discontinued
0.6842 Remote Similarity NPD7524 Approved
0.6832 Remote Similarity NPD4225 Approved
0.6818 Remote Similarity NPD8264 Approved
0.6813 Remote Similarity NPD7332 Phase 2
0.6813 Remote Similarity NPD7514 Phase 3
0.679 Remote Similarity NPD368 Approved
0.6778 Remote Similarity NPD7145 Approved
0.6739 Remote Similarity NPD6902 Approved
0.6705 Remote Similarity NPD6926 Approved
0.6705 Remote Similarity NPD6924 Approved
0.6703 Remote Similarity NPD7645 Phase 2
0.6696 Remote Similarity NPD7328 Approved
0.6696 Remote Similarity NPD7327 Approved
0.6667 Remote Similarity NPD8033 Approved
0.6667 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6637 Remote Similarity NPD7516 Approved
0.6632 Remote Similarity NPD6893 Approved
0.663 Remote Similarity NPD7525 Registered
0.6593 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6579 Remote Similarity NPD8294 Approved
0.6579 Remote Similarity NPD8377 Approved
0.6566 Remote Similarity NPD7087 Discontinued
0.6566 Remote Similarity NPD7637 Suspended
0.6559 Remote Similarity NPD6898 Phase 1
0.6556 Remote Similarity NPD6933 Approved
0.6531 Remote Similarity NPD6051 Approved
0.6526 Remote Similarity NPD4786 Approved
0.6522 Remote Similarity NPD8378 Approved
0.6522 Remote Similarity NPD8379 Approved
0.6522 Remote Similarity NPD8335 Approved
0.6522 Remote Similarity NPD8380 Approved
0.6522 Remote Similarity NPD8296 Approved
0.65 Remote Similarity NPD6399 Phase 3
0.6484 Remote Similarity NPD6932 Approved
0.6476 Remote Similarity NPD7632 Discontinued
0.6458 Remote Similarity NPD1694 Approved
0.6456 Remote Similarity NPD342 Phase 1
0.6452 Remote Similarity NPD7509 Discontinued
0.6437 Remote Similarity NPD6923 Approved
0.6437 Remote Similarity NPD6922 Approved
0.6381 Remote Similarity NPD5344 Discontinued
0.6364 Remote Similarity NPD7143 Approved
0.6364 Remote Similarity NPD7144 Approved
0.6354 Remote Similarity NPD3666 Approved
0.6354 Remote Similarity NPD3133 Approved
0.6354 Remote Similarity NPD3665 Phase 1
0.6346 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6344 Remote Similarity NPD6683 Phase 2
0.6337 Remote Similarity NPD5779 Approved
0.6337 Remote Similarity NPD5778 Approved
0.6333 Remote Similarity NPD4784 Approved
0.6333 Remote Similarity NPD4785 Approved
0.6316 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7507 Approved
0.6292 Remote Similarity NPD4243 Approved
0.6292 Remote Similarity NPD7150 Approved
0.6292 Remote Similarity NPD7152 Approved
0.6292 Remote Similarity NPD7151 Approved
0.6277 Remote Similarity NPD4748 Discontinued
0.6273 Remote Similarity NPD4061 Clinical (unspecified phase)
0.625 Remote Similarity NPD6053 Discontinued
0.6239 Remote Similarity NPD8516 Approved
0.6239 Remote Similarity NPD8515 Approved
0.6239 Remote Similarity NPD8513 Phase 3
0.6239 Remote Similarity NPD8517 Approved
0.6224 Remote Similarity NPD3618 Phase 1
0.6224 Remote Similarity NPD4249 Approved
0.6195 Remote Similarity NPD8133 Approved
0.6186 Remote Similarity NPD6370 Approved
0.6162 Remote Similarity NPD4251 Approved
0.6162 Remote Similarity NPD4250 Approved
0.6161 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6148 Remote Similarity NPD7319 Approved
0.6147 Remote Similarity NPD6640 Phase 3
0.6139 Remote Similarity NPD46 Approved
0.6139 Remote Similarity NPD7838 Discovery
0.6139 Remote Similarity NPD6698 Approved
0.6139 Remote Similarity NPD3168 Discontinued
0.6134 Remote Similarity NPD6067 Discontinued
0.6132 Remote Similarity NPD6648 Approved
0.6126 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6105 Remote Similarity NPD6928 Phase 2
0.6087 Remote Similarity NPD5275 Approved
0.6087 Remote Similarity NPD4190 Phase 3
0.6075 Remote Similarity NPD4159 Approved
0.6071 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6071 Remote Similarity NPD1145 Discontinued
0.6061 Remote Similarity NPD7146 Approved
0.6061 Remote Similarity NPD7521 Approved
0.6061 Remote Similarity NPD5279 Phase 3
0.6061 Remote Similarity NPD5330 Approved
0.6061 Remote Similarity NPD6409 Approved
0.6061 Remote Similarity NPD4623 Approved
0.6061 Remote Similarity NPD6684 Approved
0.6061 Remote Similarity NPD4519 Discontinued
0.6061 Remote Similarity NPD7334 Approved
0.6058 Remote Similarity NPD1698 Clinical (unspecified phase)
0.605 Remote Similarity NPD5126 Approved
0.605 Remote Similarity NPD5125 Phase 3
0.6044 Remote Similarity NPD4732 Discontinued
0.604 Remote Similarity NPD5328 Approved
0.6034 Remote Similarity NPD7115 Discovery
0.602 Remote Similarity NPD3668 Phase 3
0.6019 Remote Similarity NPD4202 Approved
0.6017 Remote Similarity NPD6054 Approved
0.6017 Remote Similarity NPD6059 Approved
0.6 Remote Similarity NPD4195 Approved
0.6 Remote Similarity NPD6008 Approved
0.5984 Remote Similarity NPD8293 Discontinued
0.598 Remote Similarity NPD7136 Phase 2
0.5978 Remote Similarity NPD1811 Approved
0.5978 Remote Similarity NPD1810 Approved
0.5966 Remote Similarity NPD6016 Approved
0.5966 Remote Similarity NPD6015 Approved
0.5962 Remote Similarity NPD5282 Discontinued
0.5962 Remote Similarity NPD7748 Approved
0.596 Remote Similarity NPD6082 Clinical (unspecified phase)
0.596 Remote Similarity NPD1696 Phase 3
0.5943 Remote Similarity NPD7902 Approved
0.5943 Remote Similarity NPD6083 Phase 2
0.5943 Remote Similarity NPD6084 Phase 2
0.5941 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5941 Remote Similarity NPD6903 Approved
0.5938 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5935 Remote Similarity NPD7736 Approved
0.5929 Remote Similarity NPD6371 Approved
0.5922 Remote Similarity NPD6079 Approved
0.5922 Remote Similarity NPD6411 Approved
0.5922 Remote Similarity NPD7515 Phase 2
0.5917 Remote Similarity NPD5988 Approved
0.5905 Remote Similarity NPD5695 Phase 3
0.5897 Remote Similarity NPD6009 Approved
0.5897 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4753 Phase 2
0.5882 Remote Similarity NPD7741 Discontinued
0.5882 Remote Similarity NPD1695 Approved
0.5873 Remote Similarity NPD8449 Approved
0.5872 Remote Similarity NPD5211 Phase 2
0.5868 Remote Similarity NPD8328 Phase 3
0.5856 Remote Similarity NPD5739 Approved
0.5856 Remote Similarity NPD6402 Approved
0.5856 Remote Similarity NPD7128 Approved
0.5856 Remote Similarity NPD6675 Approved
0.584 Remote Similarity NPD6914 Discontinued
0.5827 Remote Similarity NPD8450 Suspended
0.5826 Remote Similarity NPD6882 Approved
0.5825 Remote Similarity NPD5785 Approved
0.582 Remote Similarity NPD7492 Approved
0.5816 Remote Similarity NPD4221 Approved
0.5816 Remote Similarity NPD4223 Phase 3
0.5804 Remote Similarity NPD5701 Approved
0.5804 Remote Similarity NPD5697 Approved
0.5804 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5794 Remote Similarity NPD4755 Approved
0.5784 Remote Similarity NPD6672 Approved
0.5784 Remote Similarity NPD5737 Approved
0.5783 Remote Similarity NPD4219 Approved
0.5776 Remote Similarity NPD4632 Approved
0.5773 Remote Similarity NPD4695 Discontinued
0.5773 Remote Similarity NPD4821 Approved
0.5773 Remote Similarity NPD4820 Approved
0.5773 Remote Similarity NPD4822 Approved
0.5773 Remote Similarity NPD4819 Approved
0.5772 Remote Similarity NPD6616 Approved
0.5769 Remote Similarity NPD7983 Approved
0.5769 Remote Similarity NPD5693 Phase 1
0.5766 Remote Similarity NPD5141 Approved
0.5758 Remote Similarity NPD5362 Discontinued
0.5758 Remote Similarity NPD7154 Phase 3
0.5752 Remote Similarity NPD6881 Approved
0.5752 Remote Similarity NPD7320 Approved
0.5752 Remote Similarity NPD6899 Approved
0.5752 Remote Similarity NPD6011 Approved
0.5745 Remote Similarity NPD8039 Approved
0.5741 Remote Similarity NPD5696 Approved
0.5729 Remote Similarity NPD4268 Approved
0.5729 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5729 Remote Similarity NPD4271 Approved
0.5728 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5728 Remote Similarity NPD6101 Approved
0.5726 Remote Similarity NPD8074 Phase 3

Structure

External Identifiers

PubChem CID   10857966
ChEMBL   CHEMBL448586
ZINC  

Physicochemical Properties

Molecular Weight:  252.17
ALogP:  0.1489
MLogP:  2.78
XLogP:  2.649
# Rotatable Bonds:  5
Polar Surface Area:  49.69
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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