Natural Product: NPC476809

Natural Product ID:  NPC476809
Common Name:   Tagalsin Q
IUPAC Name:   (4aR,4bS,7S,8aS,10aS)-7-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4aH-phenanthren-2-one
Synonyms:   Tagalsin Q
Molecular Formula:   C18H26O2
Standard InCHIKey:  IHFRPKCRDFDADJ-FUJDEKNSSA-N
Standard InCHI:  InChI=1S/C18H26O2/c1-12-14(19)5-6-15-17(12,3)8-7-13-11-16(2,20)9-10-18(13,15)4/h5-6,13,15,20H,1,7-11H2,2-4H3/t13-,15-,16-,17+,18-/m0/s1
Canonical SMILES:  O=C1C=C[C@H]2[C@](C1=C)(C)CC[C@@H]1[C@]2(C)CC[C@](C1)(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
NPO19887 Ceriops tagal Species Rhizophoraceae Eukaryota stems and twigs mangrove wetlands of Hainan Island, China 2002-JUL PMID[20886837]
NPO19887 Ceriops tagal Species Rhizophoraceae Eukaryota stems and twigs the mangrove wetlands of Hainan Island, China 2002-JUL PMID[20886837]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 53 % 20886837
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 50 % 20886837
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 23 % 20886837
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 43 % 20886837
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 36 % 20886837
NPT4696 Organism Brontispa longissima Brontispa longissima Activity = 30 % 20886837

  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 NPC476809 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
0.9474 High Similarity NPC469637
0.9351 High Similarity NPC473217
0.9091 High Similarity NPC170394
0.9079 High Similarity NPC257666
0.9079 High Similarity NPC266193
0.8961 High Similarity NPC275494
0.8961 High Similarity NPC471409
0.8961 High Similarity NPC476808
0.8947 High Similarity NPC186554
0.8947 High Similarity NPC76966
0.8861 High Similarity NPC278459
0.8831 High Similarity NPC165711
0.8795 High Similarity NPC48107
0.8765 High Similarity NPC251170
0.875 High Similarity NPC302661
0.875 High Similarity NPC238991
0.875 High Similarity NPC193347
0.8734 High Similarity NPC108955
0.8734 High Similarity NPC2482
0.8718 High Similarity NPC207772
0.8718 High Similarity NPC189485
0.8701 High Similarity NPC472305
0.8684 High Similarity NPC22134
0.8675 High Similarity NPC471792
0.8659 High Similarity NPC29447
0.8659 High Similarity NPC474537
0.8659 High Similarity NPC469993
0.8625 High Similarity NPC121984
0.8625 High Similarity NPC55869
0.8625 High Similarity NPC471898
0.8571 High Similarity NPC192540
0.8571 High Similarity NPC279666
0.8571 High Similarity NPC158778
0.8554 High Similarity NPC94666
0.8537 High Similarity NPC144258
0.8537 High Similarity NPC476412
0.85 High Similarity NPC472478
0.8488 Intermediate Similarity NPC272746
0.8488 Intermediate Similarity NPC475806
0.8481 Intermediate Similarity NPC253561
0.8481 Intermediate Similarity NPC74410
0.8481 Intermediate Similarity NPC80088
0.8471 Intermediate Similarity NPC262043
0.8471 Intermediate Similarity NPC472973
0.8471 Intermediate Similarity NPC119416
0.8462 Intermediate Similarity NPC180886
0.8462 Intermediate Similarity NPC69143
0.8452 Intermediate Similarity NPC93778
0.8452 Intermediate Similarity NPC58063
0.8452 Intermediate Similarity NPC30421
0.8442 Intermediate Similarity NPC162164
0.8442 Intermediate Similarity NPC161923
0.8442 Intermediate Similarity NPC38426
0.8442 Intermediate Similarity NPC476046
0.8442 Intermediate Similarity NPC103958
0.8442 Intermediate Similarity NPC241854
0.8442 Intermediate Similarity NPC251970
0.8442 Intermediate Similarity NPC183503
0.8442 Intermediate Similarity NPC283908
0.8434 Intermediate Similarity NPC33663
0.8434 Intermediate Similarity NPC241512
0.8434 Intermediate Similarity NPC6185
0.8434 Intermediate Similarity NPC470574
0.8434 Intermediate Similarity NPC476426
0.8415 Intermediate Similarity NPC64600
0.8415 Intermediate Similarity NPC105803
0.8415 Intermediate Similarity NPC102197
0.8415 Intermediate Similarity NPC53733
0.8395 Intermediate Similarity NPC14151
0.8395 Intermediate Similarity NPC116797
0.8395 Intermediate Similarity NPC225515
0.8395 Intermediate Similarity NPC226068
0.8375 Intermediate Similarity NPC231431
0.8375 Intermediate Similarity NPC215843
0.8375 Intermediate Similarity NPC474113
0.8372 Intermediate Similarity NPC85173
0.8372 Intermediate Similarity NPC475823
0.8372 Intermediate Similarity NPC474209
0.8354 Intermediate Similarity NPC34110
0.8354 Intermediate Similarity NPC197659
0.8354 Intermediate Similarity NPC472300
0.8354 Intermediate Similarity NPC97377
0.8353 Intermediate Similarity NPC328539
0.8353 Intermediate Similarity NPC206060
0.8353 Intermediate Similarity NPC471791
0.8353 Intermediate Similarity NPC471793
0.8353 Intermediate Similarity NPC472802
0.8333 Intermediate Similarity NPC472974
0.8333 Intermediate Similarity NPC472985
0.8333 Intermediate Similarity NPC472479
0.8333 Intermediate Similarity NPC31564
0.8333 Intermediate Similarity NPC158393
0.8333 Intermediate Similarity NPC179591
0.8333 Intermediate Similarity NPC474733
0.8333 Intermediate Similarity NPC472986
0.8333 Intermediate Similarity NPC474778
0.8333 Intermediate Similarity NPC474732
0.8333 Intermediate Similarity NPC145879
0.8313 Intermediate Similarity NPC85774
0.8313 Intermediate Similarity NPC214043
0.8313 Intermediate Similarity NPC96095
0.8313 Intermediate Similarity NPC329043
0.8313 Intermediate Similarity NPC237712
0.8313 Intermediate Similarity NPC161423
0.8313 Intermediate Similarity NPC58841
0.8313 Intermediate Similarity NPC227064
0.8313 Intermediate Similarity NPC321187
0.8312 Intermediate Similarity NPC247586
0.8295 Intermediate Similarity NPC8993
0.8295 Intermediate Similarity NPC471207
0.8293 Intermediate Similarity NPC103486
0.8293 Intermediate Similarity NPC151519
0.8293 Intermediate Similarity NPC48362
0.8293 Intermediate Similarity NPC320514
0.8289 Intermediate Similarity NPC163020
0.8276 Intermediate Similarity NPC472975
0.8276 Intermediate Similarity NPC472978
0.8272 Intermediate Similarity NPC26139
0.8272 Intermediate Similarity NPC37038
0.8267 Intermediate Similarity NPC188292
0.8267 Intermediate Similarity NPC260474
0.8256 Intermediate Similarity NPC36668
0.8256 Intermediate Similarity NPC309603
0.8256 Intermediate Similarity NPC118011
0.8256 Intermediate Similarity NPC65615
0.8256 Intermediate Similarity NPC473999
0.8256 Intermediate Similarity NPC68148
0.825 Intermediate Similarity NPC62336
0.825 Intermediate Similarity NPC179028
0.8243 Intermediate Similarity NPC103734
0.8235 Intermediate Similarity NPC476409
0.8235 Intermediate Similarity NPC475740
0.8235 Intermediate Similarity NPC141292
0.8235 Intermediate Similarity NPC136948
0.8228 Intermediate Similarity NPC1254
0.8228 Intermediate Similarity NPC470525
0.8228 Intermediate Similarity NPC151622
0.8228 Intermediate Similarity NPC92080
0.8228 Intermediate Similarity NPC263582
0.8228 Intermediate Similarity NPC7629
0.8222 Intermediate Similarity NPC473456
0.8214 Intermediate Similarity NPC133954
0.8214 Intermediate Similarity NPC469948
0.8214 Intermediate Similarity NPC132228
0.8214 Intermediate Similarity NPC8518
0.8214 Intermediate Similarity NPC474680
0.8214 Intermediate Similarity NPC263997
0.8193 Intermediate Similarity NPC297398
0.8193 Intermediate Similarity NPC49019
0.8193 Intermediate Similarity NPC307258
0.8182 Intermediate Similarity NPC109305
0.8182 Intermediate Similarity NPC84790
0.8182 Intermediate Similarity NPC134826
0.8182 Intermediate Similarity NPC54123
0.8182 Intermediate Similarity NPC474807
0.8171 Intermediate Similarity NPC44963
0.8171 Intermediate Similarity NPC90055
0.8171 Intermediate Similarity NPC147066
0.8171 Intermediate Similarity NPC477372
0.8171 Intermediate Similarity NPC263272
0.8171 Intermediate Similarity NPC267691
0.8171 Intermediate Similarity NPC119229
0.8171 Intermediate Similarity NPC3915
0.8171 Intermediate Similarity NPC274050
0.8171 Intermediate Similarity NPC472684
0.8171 Intermediate Similarity NPC142244
0.8171 Intermediate Similarity NPC162632
0.8161 Intermediate Similarity NPC191684
0.8161 Intermediate Similarity NPC126993
0.8148 Intermediate Similarity NPC308038
0.8148 Intermediate Similarity NPC476177
0.8148 Intermediate Similarity NPC472490
0.8148 Intermediate Similarity NPC27817
0.8148 Intermediate Similarity NPC192329
0.814 Intermediate Similarity NPC474925
0.814 Intermediate Similarity NPC471722
0.814 Intermediate Similarity NPC292491
0.814 Intermediate Similarity NPC310752
0.814 Intermediate Similarity NPC474677
0.814 Intermediate Similarity NPC72397
0.8133 Intermediate Similarity NPC263161
0.8125 Intermediate Similarity NPC471899
0.8125 Intermediate Similarity NPC107039
0.8125 Intermediate Similarity NPC471897
0.8118 Intermediate Similarity NPC222613
0.8118 Intermediate Similarity NPC118648
0.8118 Intermediate Similarity NPC73038
0.8118 Intermediate Similarity NPC472488
0.8118 Intermediate Similarity NPC72133
0.8118 Intermediate Similarity NPC475022
0.8118 Intermediate Similarity NPC327115
0.8118 Intermediate Similarity NPC213412
0.8118 Intermediate Similarity NPC74363
0.8118 Intermediate Similarity NPC475862
0.8118 Intermediate Similarity NPC194417
0.8111 Intermediate Similarity NPC473158
0.8101 Intermediate Similarity NPC476795
0.8095 Intermediate Similarity NPC472480
0.8095 Intermediate Similarity NPC59453
0.8095 Intermediate Similarity NPC180834

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476809 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
0.875 High Similarity NPD4223 Phase 3
0.875 High Similarity NPD4221 Approved
0.8734 High Similarity NPD4695 Discontinued
0.8554 High Similarity NPD3574 Clinical (unspecified phase)
0.8554 High Similarity NPD3618 Phase 1
0.8554 High Similarity NPD4519 Discontinued
0.8554 High Similarity NPD4623 Approved
0.8554 High Similarity NPD5690 Phase 2
0.8537 High Similarity NPD4197 Approved
0.8488 Intermediate Similarity NPD6079 Approved
0.8452 Intermediate Similarity NPD3573 Approved
0.8434 Intermediate Similarity NPD5329 Approved
0.8375 Intermediate Similarity NPD4195 Approved
0.8333 Intermediate Similarity NPD4688 Approved
0.8333 Intermediate Similarity NPD5205 Approved
0.8333 Intermediate Similarity NPD4690 Approved
0.8333 Intermediate Similarity NPD4693 Phase 3
0.8333 Intermediate Similarity NPD4689 Approved
0.8333 Intermediate Similarity NPD4138 Approved
0.8313 Intermediate Similarity NPD3666 Approved
0.8313 Intermediate Similarity NPD3133 Approved
0.8313 Intermediate Similarity NPD3665 Phase 1
0.8293 Intermediate Similarity NPD3667 Approved
0.8256 Intermediate Similarity NPD5328 Approved
0.825 Intermediate Similarity NPD3617 Approved
0.8182 Intermediate Similarity NPD4202 Approved
0.8118 Intermediate Similarity NPD4694 Approved
0.8118 Intermediate Similarity NPD5280 Approved
0.8111 Intermediate Similarity NPD5221 Approved
0.8111 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8111 Intermediate Similarity NPD5222 Approved
0.8095 Intermediate Similarity NPD4786 Approved
0.8068 Intermediate Similarity NPD7515 Phase 2
0.8052 Intermediate Similarity NPD4691 Approved
0.8046 Intermediate Similarity NPD4753 Phase 2
0.8043 Intermediate Similarity NPD5286 Approved
0.8043 Intermediate Similarity NPD4696 Approved
0.8043 Intermediate Similarity NPD5285 Approved
0.8022 Intermediate Similarity NPD5173 Approved
0.8 Intermediate Similarity NPD4629 Approved
0.8 Intermediate Similarity NPD5210 Approved
0.7975 Intermediate Similarity NPD4058 Approved
0.7957 Intermediate Similarity NPD5223 Approved
0.7922 Intermediate Similarity NPD4137 Phase 3
0.7889 Intermediate Similarity NPD7748 Approved
0.7872 Intermediate Similarity NPD5226 Approved
0.7872 Intermediate Similarity NPD5225 Approved
0.7872 Intermediate Similarity NPD5211 Phase 2
0.7872 Intermediate Similarity NPD4633 Approved
0.7872 Intermediate Similarity NPD5224 Approved
0.7865 Intermediate Similarity NPD5284 Approved
0.7865 Intermediate Similarity NPD5281 Approved
0.7826 Intermediate Similarity NPD4755 Approved
0.7821 Intermediate Similarity NPD4747 Approved
0.7789 Intermediate Similarity NPD5175 Approved
0.7789 Intermediate Similarity NPD5174 Approved
0.7717 Intermediate Similarity NPD4697 Phase 3
0.7708 Intermediate Similarity NPD5141 Approved
0.7701 Intermediate Similarity NPD5279 Phase 3
0.7674 Intermediate Similarity NPD3668 Phase 3
0.766 Intermediate Similarity NPD4700 Approved
0.764 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD7902 Approved
0.7558 Intermediate Similarity NPD4788 Approved
0.7556 Intermediate Similarity NPD4096 Approved
0.7551 Intermediate Similarity NPD5697 Approved
0.7532 Intermediate Similarity NPD7331 Phase 2
0.7531 Intermediate Similarity NPD4687 Approved
0.7529 Intermediate Similarity NPD4692 Approved
0.7529 Intermediate Similarity NPD4139 Approved
0.7528 Intermediate Similarity NPD4518 Approved
0.7528 Intermediate Similarity NPD5208 Approved
0.75 Intermediate Similarity NPD6684 Approved
0.75 Intermediate Similarity NPD7334 Approved
0.75 Intermediate Similarity NPD7146 Approved
0.75 Intermediate Similarity NPD7521 Approved
0.75 Intermediate Similarity NPD6409 Approved
0.75 Intermediate Similarity NPD5091 Approved
0.75 Intermediate Similarity NPD5330 Approved
0.7475 Intermediate Similarity NPD6011 Approved
0.7475 Intermediate Similarity NPD6881 Approved
0.7475 Intermediate Similarity NPD6899 Approved
0.7475 Intermediate Similarity NPD4729 Approved
0.7475 Intermediate Similarity NPD4730 Approved
0.7447 Intermediate Similarity NPD6084 Phase 2
0.7447 Intermediate Similarity NPD6083 Phase 2
0.7444 Intermediate Similarity NPD6673 Approved
0.7444 Intermediate Similarity NPD6080 Approved
0.7444 Intermediate Similarity NPD6904 Approved
0.7423 Intermediate Similarity NPD4754 Approved
0.7419 Intermediate Similarity NPD5695 Phase 3
0.7403 Intermediate Similarity NPD7341 Phase 2
0.74 Intermediate Similarity NPD6013 Approved
0.74 Intermediate Similarity NPD6012 Approved
0.74 Intermediate Similarity NPD6014 Approved
0.7391 Intermediate Similarity NPD6399 Phase 3
0.7391 Intermediate Similarity NPD5133 Approved
0.7368 Intermediate Similarity NPD5696 Approved
0.7363 Intermediate Similarity NPD5207 Approved
0.7342 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7614 Phase 1
0.7333 Intermediate Similarity NPD6903 Approved
0.7333 Intermediate Similarity NPD5737 Approved
0.7333 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6672 Approved
0.7327 Intermediate Similarity NPD7102 Approved
0.7327 Intermediate Similarity NPD5169 Approved
0.7327 Intermediate Similarity NPD5135 Approved
0.7327 Intermediate Similarity NPD7290 Approved
0.7327 Intermediate Similarity NPD5249 Phase 3
0.7327 Intermediate Similarity NPD6883 Approved
0.7327 Intermediate Similarity NPD5250 Approved
0.7327 Intermediate Similarity NPD5248 Approved
0.7327 Intermediate Similarity NPD5247 Approved
0.7327 Intermediate Similarity NPD5251 Approved
0.7327 Intermediate Similarity NPD4634 Approved
0.7327 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD5733 Approved
0.7317 Intermediate Similarity NPD4785 Approved
0.7317 Intermediate Similarity NPD4784 Approved
0.7312 Intermediate Similarity NPD7900 Approved
0.7312 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6001 Approved
0.7303 Intermediate Similarity NPD6098 Approved
0.73 Intermediate Similarity NPD5168 Approved
0.73 Intermediate Similarity NPD5128 Approved
0.7284 Intermediate Similarity NPD5276 Approved
0.7284 Intermediate Similarity NPD4243 Approved
0.7283 Intermediate Similarity NPD5694 Approved
0.7283 Intermediate Similarity NPD5693 Phase 1
0.7273 Intermediate Similarity NPD4767 Approved
0.7273 Intermediate Similarity NPD4768 Approved
0.7273 Intermediate Similarity NPD6402 Approved
0.7273 Intermediate Similarity NPD5739 Approved
0.7273 Intermediate Similarity NPD7128 Approved
0.7273 Intermediate Similarity NPD6675 Approved
0.7255 Intermediate Similarity NPD5127 Approved
0.7255 Intermediate Similarity NPD5216 Approved
0.7255 Intermediate Similarity NPD6650 Approved
0.7255 Intermediate Similarity NPD8130 Phase 1
0.7255 Intermediate Similarity NPD5215 Approved
0.7255 Intermediate Similarity NPD5217 Approved
0.7255 Intermediate Similarity NPD6617 Approved
0.7255 Intermediate Similarity NPD6869 Approved
0.7255 Intermediate Similarity NPD6649 Approved
0.7255 Intermediate Similarity NPD6847 Approved
0.7234 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5701 Approved
0.7184 Intermediate Similarity NPD8297 Approved
0.7184 Intermediate Similarity NPD6882 Approved
0.7174 Intermediate Similarity NPD5692 Phase 3
0.7143 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7320 Approved
0.7125 Intermediate Similarity NPD5360 Phase 3
0.7125 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4632 Approved
0.7097 Intermediate Similarity NPD6050 Approved
0.7093 Intermediate Similarity NPD7645 Phase 2
0.7059 Intermediate Similarity NPD6373 Approved
0.7059 Intermediate Similarity NPD6372 Approved
0.7048 Intermediate Similarity NPD5167 Approved
0.7045 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5275 Approved
0.7024 Intermediate Similarity NPD7339 Approved
0.7024 Intermediate Similarity NPD6942 Approved
0.7024 Intermediate Similarity NPD4190 Phase 3
0.7011 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7525 Registered
0.701 Intermediate Similarity NPD5290 Discontinued
0.7 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1694 Approved
0.7 Intermediate Similarity NPD1696 Phase 3
0.6966 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6932 Remote Similarity NPD8028 Phase 2
0.6923 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6916 Remote Similarity NPD6009 Approved
0.6916 Remote Similarity NPD7115 Discovery
0.6916 Remote Similarity NPD6317 Approved
0.6867 Remote Similarity NPD4758 Discontinued
0.6852 Remote Similarity NPD6314 Approved
0.6852 Remote Similarity NPD6335 Approved
0.6852 Remote Similarity NPD6313 Approved
0.6842 Remote Similarity NPD287 Approved
0.6837 Remote Similarity NPD7638 Approved
0.6829 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6829 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6868 Approved
0.6822 Remote Similarity NPD6274 Approved
0.6804 Remote Similarity NPD7732 Phase 3
0.6789 Remote Similarity NPD7100 Approved
0.6789 Remote Similarity NPD7101 Approved
0.6768 Remote Similarity NPD7640 Approved
0.6768 Remote Similarity NPD7639 Approved
0.6768 Remote Similarity NPD6404 Discontinued
0.6765 Remote Similarity NPD6008 Approved
0.6737 Remote Similarity NPD6411 Approved
0.6727 Remote Similarity NPD6054 Approved
0.6727 Remote Similarity NPD6319 Approved
0.6709 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6701 Remote Similarity NPD5654 Approved

Structure

External Identifiers

PubChem CID   49831500
ChEMBL   CHEMBL1271262
ZINC  

Physicochemical Properties

Molecular Weight:  274.19
ALogP:  1.2387
MLogP:  3.22
XLogP:  3.851
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  20

Download Data

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Biological Activities  
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