Natural Product: NPC474510

Natural Product ID:  NPC474510
Common Name:   Sarcrassin A
IUPAC Name:   dimethyl (1S,4Z,8Z,10E,14S)-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-triene-5,11-dicarboxylate
Synonyms:  
Molecular Formula:   C21H30O5
Standard InCHIKey:  NJAATXWPYRPTPP-SQGRWJHQSA-N
Standard InCHI:  InChI=1S/C21H30O5/c1-14(2)15-8-10-16(20(22)24-3)6-5-7-18-19(26-18)13-12-17(11-9-15)21(23)25-4/h6,9,11,14,18-19H,5,7-8,10,12-13H2,1-4H3/b15-9-,16-6-,17-11+/t18-,19-/m0/s1
Canonical SMILES:  COC(=O)/C/1=CCC[C@@H]2O[C@H]2CC/C(=CC=C(CC1)/C(C)C)/C(=O)OC
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
NPO9909 Sarcophyton crassocaule Species Alcyoniidae Eukaryota PMID[17067165]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 19 ug/ml DrugMatrix in vivo data: Hematology

  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 NPC474510 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
0.961 High Similarity NPC170377
0.925 High Similarity NPC122502
0.8889 High Similarity NPC197903
0.8889 High Similarity NPC474547
0.8889 High Similarity NPC99395
0.8675 High Similarity NPC475703
0.8554 High Similarity NPC164393
0.8471 Intermediate Similarity NPC166919
0.8452 Intermediate Similarity NPC231889
0.8415 Intermediate Similarity NPC272814
0.8333 Intermediate Similarity NPC284902
0.8193 Intermediate Similarity NPC53867
0.8161 Intermediate Similarity NPC312042
0.8161 Intermediate Similarity NPC475748
0.8161 Intermediate Similarity NPC62815
0.814 Intermediate Similarity NPC281516
0.8118 Intermediate Similarity NPC474045
0.8118 Intermediate Similarity NPC261253
0.8118 Intermediate Similarity NPC469676
0.8118 Intermediate Similarity NPC50637
0.809 Intermediate Similarity NPC476267
0.809 Intermediate Similarity NPC473316
0.809 Intermediate Similarity NPC473330
0.809 Intermediate Similarity NPC140543
0.8068 Intermediate Similarity NPC20713
0.8046 Intermediate Similarity NPC295312
0.8046 Intermediate Similarity NPC106040
0.8046 Intermediate Similarity NPC115179
0.8046 Intermediate Similarity NPC151770
0.8025 Intermediate Similarity NPC128276
0.8 Intermediate Similarity NPC319795
0.8 Intermediate Similarity NPC137033
0.8 Intermediate Similarity NPC38468
0.8 Intermediate Similarity NPC50362
0.7978 Intermediate Similarity NPC476049
0.7976 Intermediate Similarity NPC318468
0.7976 Intermediate Similarity NPC11620
0.7976 Intermediate Similarity NPC475842
0.7975 Intermediate Similarity NPC476355
0.7975 Intermediate Similarity NPC92558
0.7955 Intermediate Similarity NPC251385
0.7955 Intermediate Similarity NPC469718
0.7955 Intermediate Similarity NPC49342
0.7955 Intermediate Similarity NPC329857
0.7952 Intermediate Similarity NPC141810
0.7952 Intermediate Similarity NPC42470
0.7949 Intermediate Similarity NPC477084
0.7931 Intermediate Similarity NPC227379
0.7931 Intermediate Similarity NPC153805
0.7931 Intermediate Similarity NPC474471
0.7922 Intermediate Similarity NPC269841
0.7912 Intermediate Similarity NPC473291
0.7901 Intermediate Similarity NPC57744
0.7889 Intermediate Similarity NPC474035
0.7889 Intermediate Similarity NPC81386
0.7889 Intermediate Similarity NPC471147
0.7882 Intermediate Similarity NPC472957
0.7882 Intermediate Similarity NPC472958
0.7882 Intermediate Similarity NPC72464
0.7865 Intermediate Similarity NPC221282
0.7865 Intermediate Similarity NPC290651
0.7857 Intermediate Similarity NPC471326
0.7857 Intermediate Similarity NPC221231
0.7857 Intermediate Similarity NPC173609
0.7849 Intermediate Similarity NPC475053
0.7841 Intermediate Similarity NPC474032
0.7821 Intermediate Similarity NPC475310
0.7816 Intermediate Similarity NPC248602
0.7805 Intermediate Similarity NPC474341
0.7802 Intermediate Similarity NPC474947
0.7802 Intermediate Similarity NPC14961
0.7802 Intermediate Similarity NPC270013
0.7802 Intermediate Similarity NPC475659
0.7802 Intermediate Similarity NPC272050
0.7792 Intermediate Similarity NPC218477
0.7791 Intermediate Similarity NPC215364
0.7778 Intermediate Similarity NPC475838
0.7778 Intermediate Similarity NPC228451
0.7778 Intermediate Similarity NPC125674
0.7778 Intermediate Similarity NPC212486
0.7778 Intermediate Similarity NPC123360
0.7765 Intermediate Similarity NPC474472
0.7765 Intermediate Similarity NPC475989
0.7765 Intermediate Similarity NPC257358
0.7753 Intermediate Similarity NPC476004
0.7753 Intermediate Similarity NPC474761
0.7753 Intermediate Similarity NPC51004
0.775 Intermediate Similarity NPC140287
0.7742 Intermediate Similarity NPC161855
0.7738 Intermediate Similarity NPC471325
0.7727 Intermediate Similarity NPC475902
0.7727 Intermediate Similarity NPC202672
0.7722 Intermediate Similarity NPC84038
0.7722 Intermediate Similarity NPC163003
0.7717 Intermediate Similarity NPC476275
0.7717 Intermediate Similarity NPC473859
0.7717 Intermediate Similarity NPC476315
0.7711 Intermediate Similarity NPC264227
0.7711 Intermediate Similarity NPC469690
0.7711 Intermediate Similarity NPC472965
0.7711 Intermediate Similarity NPC63649
0.7711 Intermediate Similarity NPC178277
0.7711 Intermediate Similarity NPC617
0.7711 Intermediate Similarity NPC469620
0.7708 Intermediate Similarity NPC471143
0.7708 Intermediate Similarity NPC477510
0.7701 Intermediate Similarity NPC234038
0.7692 Intermediate Similarity NPC474247
0.7692 Intermediate Similarity NPC261398
0.7692 Intermediate Similarity NPC303942
0.7692 Intermediate Similarity NPC57405
0.7683 Intermediate Similarity NPC41780
0.7683 Intermediate Similarity NPC187568
0.7683 Intermediate Similarity NPC476794
0.7683 Intermediate Similarity NPC470240
0.7683 Intermediate Similarity NPC180290
0.7674 Intermediate Similarity NPC243618
0.7674 Intermediate Similarity NPC196487
0.7674 Intermediate Similarity NPC14575
0.7674 Intermediate Similarity NPC70424
0.7667 Intermediate Similarity NPC30515
0.766 Intermediate Similarity NPC469551
0.766 Intermediate Similarity NPC288876
0.7654 Intermediate Similarity NPC329826
0.7654 Intermediate Similarity NPC469414
0.7654 Intermediate Similarity NPC244166
0.7647 Intermediate Similarity NPC85772
0.7647 Intermediate Similarity NPC35556
0.7647 Intermediate Similarity NPC475936
0.764 Intermediate Similarity NPC78008
0.764 Intermediate Similarity NPC212598
0.764 Intermediate Similarity NPC307411
0.764 Intermediate Similarity NPC83423
0.7625 Intermediate Similarity NPC474705
0.7619 Intermediate Similarity NPC233377
0.7619 Intermediate Similarity NPC223904
0.7619 Intermediate Similarity NPC474981
0.7614 Intermediate Similarity NPC160138
0.7614 Intermediate Similarity NPC477959
0.7614 Intermediate Similarity NPC474765
0.7609 Intermediate Similarity NPC471141
0.7609 Intermediate Similarity NPC107476
0.76 Intermediate Similarity NPC155849
0.76 Intermediate Similarity NPC217940
0.7595 Intermediate Similarity NPC469660
0.759 Intermediate Similarity NPC471220
0.759 Intermediate Similarity NPC472960
0.759 Intermediate Similarity NPC93763
0.759 Intermediate Similarity NPC108816
0.7586 Intermediate Similarity NPC149725
0.7586 Intermediate Similarity NPC304509
0.7586 Intermediate Similarity NPC21469
0.7586 Intermediate Similarity NPC47958
0.7586 Intermediate Similarity NPC477018
0.7586 Intermediate Similarity NPC100921
0.7582 Intermediate Similarity NPC476300
0.7582 Intermediate Similarity NPC81419
0.7582 Intermediate Similarity NPC475912
0.7582 Intermediate Similarity NPC179746
0.7579 Intermediate Similarity NPC477511
0.7579 Intermediate Similarity NPC264477
0.7564 Intermediate Similarity NPC276290
0.7561 Intermediate Similarity NPC235906
0.7558 Intermediate Similarity NPC170286
0.7558 Intermediate Similarity NPC475947
0.7558 Intermediate Similarity NPC250315
0.7556 Intermediate Similarity NPC80875
0.7556 Intermediate Similarity NPC71533
0.7556 Intermediate Similarity NPC106510
0.7556 Intermediate Similarity NPC473619
0.7553 Intermediate Similarity NPC208233
0.7553 Intermediate Similarity NPC473326
0.7553 Intermediate Similarity NPC279561
0.7531 Intermediate Similarity NPC117746
0.7531 Intermediate Similarity NPC477204
0.7531 Intermediate Similarity NPC474758
0.7531 Intermediate Similarity NPC15499
0.7531 Intermediate Similarity NPC294434
0.7531 Intermediate Similarity NPC259599
0.7529 Intermediate Similarity NPC286229
0.7529 Intermediate Similarity NPC25684
0.7529 Intermediate Similarity NPC79277
0.7529 Intermediate Similarity NPC281949
0.7529 Intermediate Similarity NPC184208
0.7529 Intermediate Similarity NPC8538
0.7529 Intermediate Similarity NPC475481
0.7529 Intermediate Similarity NPC301477
0.7528 Intermediate Similarity NPC473151
0.7528 Intermediate Similarity NPC475906
0.7528 Intermediate Similarity NPC471047
0.7528 Intermediate Similarity NPC469653
0.7528 Intermediate Similarity NPC469628
0.7528 Intermediate Similarity NPC469631
0.7527 Intermediate Similarity NPC35498
0.7527 Intermediate Similarity NPC172998
0.7527 Intermediate Similarity NPC279621
0.7527 Intermediate Similarity NPC301596
0.7527 Intermediate Similarity NPC299396
0.7527 Intermediate Similarity NPC17585
0.7527 Intermediate Similarity NPC230800

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474510 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 NPD1733 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD46 Approved
0.7753 Intermediate Similarity NPD6698 Approved
0.7632 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD7838 Discovery
0.7442 Intermediate Similarity NPD5209 Approved
0.7283 Intermediate Similarity NPD7983 Approved
0.7253 Intermediate Similarity NPD1695 Approved
0.7241 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD8039 Approved
0.7021 Intermediate Similarity NPD5778 Approved
0.7021 Intermediate Similarity NPD5779 Approved
0.6837 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6813 Remote Similarity NPD1694 Approved
0.6804 Remote Similarity NPD7839 Suspended
0.6768 Remote Similarity NPD6648 Approved
0.6701 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4756 Discovery
0.6632 Remote Similarity NPD5785 Approved
0.6593 Remote Similarity NPD7154 Phase 3
0.6585 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6526 Remote Similarity NPD6101 Approved
0.6509 Remote Similarity NPD6371 Approved
0.65 Remote Similarity NPD7638 Approved
0.6484 Remote Similarity NPD6435 Approved
0.6476 Remote Similarity NPD6686 Approved
0.6452 Remote Similarity NPD5363 Approved
0.6442 Remote Similarity NPD6008 Approved
0.6436 Remote Similarity NPD7640 Approved
0.6436 Remote Similarity NPD7639 Approved
0.6413 Remote Similarity NPD5362 Discontinued
0.6404 Remote Similarity NPD7830 Approved
0.6404 Remote Similarity NPD7829 Approved
0.6392 Remote Similarity NPD6411 Approved
0.6389 Remote Similarity NPD6053 Discontinued
0.6383 Remote Similarity NPD5786 Approved
0.6373 Remote Similarity NPD5344 Discontinued
0.6277 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6265 Remote Similarity NPD7331 Phase 2
0.6264 Remote Similarity NPD5368 Approved
0.6226 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5784 Clinical (unspecified phase)
0.622 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6211 Remote Similarity NPD7334 Approved
0.6211 Remote Similarity NPD5330 Approved
0.6211 Remote Similarity NPD6422 Discontinued
0.6211 Remote Similarity NPD6684 Approved
0.6211 Remote Similarity NPD7146 Approved
0.6211 Remote Similarity NPD6409 Approved
0.6211 Remote Similarity NPD7521 Approved
0.6211 Remote Similarity NPD4249 Approved
0.6146 Remote Similarity NPD4250 Approved
0.6146 Remote Similarity NPD4251 Approved
0.6146 Remote Similarity NPD3573 Approved
0.6133 Remote Similarity NPD6927 Phase 3
0.6129 Remote Similarity NPD4270 Approved
0.6129 Remote Similarity NPD4269 Approved
0.6111 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6082 Remote Similarity NPD6903 Approved
0.6082 Remote Similarity NPD5737 Approved
0.6082 Remote Similarity NPD6672 Approved
0.6061 Remote Similarity NPD7637 Suspended
0.6061 Remote Similarity NPD5693 Phase 1
0.6055 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6049 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6022 Remote Similarity NPD5369 Approved
0.6019 Remote Similarity NPD4225 Approved
0.5983 Remote Similarity NPD7642 Approved
0.5965 Remote Similarity NPD7641 Discontinued
0.596 Remote Similarity NPD5692 Phase 3
0.5952 Remote Similarity NPD7341 Phase 2
0.5948 Remote Similarity NPD8513 Phase 3
0.5948 Remote Similarity NPD8516 Approved
0.5948 Remote Similarity NPD8517 Approved
0.5948 Remote Similarity NPD8515 Approved
0.5941 Remote Similarity NPD7900 Approved
0.5941 Remote Similarity NPD7748 Approved
0.5941 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5282 Discontinued
0.5921 Remote Similarity NPD29 Approved
0.5921 Remote Similarity NPD28 Approved
0.5914 Remote Similarity NPD4821 Approved
0.5914 Remote Similarity NPD4820 Approved
0.5914 Remote Similarity NPD4252 Approved
0.5914 Remote Similarity NPD4819 Approved
0.5914 Remote Similarity NPD4822 Approved
0.5909 Remote Similarity NPD2067 Discontinued
0.5902 Remote Similarity NPD7260 Phase 2
0.59 Remote Similarity NPD5694 Approved
0.59 Remote Similarity NPD6050 Approved
0.5895 Remote Similarity NPD5331 Approved
0.5895 Remote Similarity NPD5332 Approved
0.5895 Remote Similarity NPD6110 Phase 1
0.5882 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5877 Remote Similarity NPD7115 Discovery
0.5877 Remote Similarity NPD7500 Approved
0.587 Remote Similarity NPD4271 Approved
0.587 Remote Similarity NPD4268 Approved
0.5856 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5856 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5851 Remote Similarity NPD4790 Discontinued
0.5849 Remote Similarity NPD7632 Discontinued
0.5833 Remote Similarity NPD5048 Discontinued
0.5833 Remote Similarity NPD3197 Phase 1
0.5833 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5812 Remote Similarity NPD8444 Approved
0.58 Remote Similarity NPD5207 Approved
0.5794 Remote Similarity NPD6647 Phase 2
0.578 Remote Similarity NPD5697 Approved
0.5769 Remote Similarity NPD3172 Approved
0.5769 Remote Similarity NPD7902 Approved
0.5752 Remote Similarity NPD4632 Approved
0.575 Remote Similarity NPD8273 Phase 1
0.575 Remote Similarity NPD7507 Approved
0.575 Remote Similarity NPD6637 Approved
0.5743 Remote Similarity NPD7515 Phase 2
0.5741 Remote Similarity NPD5909 Discontinued
0.5728 Remote Similarity NPD5695 Phase 3
0.5728 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5727 Remote Similarity NPD6011 Approved
0.5727 Remote Similarity NPD6881 Approved
0.5727 Remote Similarity NPD6899 Approved
0.5714 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5279 Phase 3
0.5714 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5702 Remote Similarity NPD8074 Phase 3
0.57 Remote Similarity NPD6080 Approved
0.57 Remote Similarity NPD6051 Approved
0.57 Remote Similarity NPD6673 Approved
0.57 Remote Similarity NPD6904 Approved
0.5696 Remote Similarity NPD4266 Approved
0.5696 Remote Similarity NPD3196 Approved
0.5696 Remote Similarity NPD3194 Approved
0.5696 Remote Similarity NPD3195 Phase 2
0.5688 Remote Similarity NPD6402 Approved
0.5688 Remote Similarity NPD5739 Approved
0.5688 Remote Similarity NPD6675 Approved
0.5688 Remote Similarity NPD7128 Approved
0.5686 Remote Similarity NPD6399 Phase 3
0.5676 Remote Similarity NPD6012 Approved
0.5676 Remote Similarity NPD2182 Approved
0.5676 Remote Similarity NPD6013 Approved
0.5676 Remote Similarity NPD6014 Approved
0.5669 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5644 Remote Similarity NPD3673 Approved
0.5644 Remote Similarity NPD3672 Approved
0.5636 Remote Similarity NPD5701 Approved
0.5625 Remote Similarity NPD6883 Approved
0.5625 Remote Similarity NPD7290 Approved
0.5625 Remote Similarity NPD7102 Approved
0.562 Remote Similarity NPD8451 Approved
0.5619 Remote Similarity NPD6084 Phase 2
0.5619 Remote Similarity NPD6083 Phase 2
0.5619 Remote Similarity NPD5959 Approved
0.5612 Remote Similarity NPD1696 Phase 3
0.561 Remote Similarity NPD7319 Approved
0.5603 Remote Similarity NPD6009 Approved
0.56 Remote Similarity NPD5208 Approved
0.56 Remote Similarity NPD6845 Suspended

Structure

External Identifiers

PubChem CID   44559136
ChEMBL   CHEMBL470453
ZINC  

Physicochemical Properties

Molecular Weight:  362.21
ALogP:  1.0238
MLogP:  3.22
XLogP:  3.279
# Rotatable Bonds:  9
Polar Surface Area:  65.13
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  26

Download Data

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