Natural Product: NPC232156

Natural Product ID:  NPC232156
Common Name:   7-Hydroxydeacetylbotryenalol
IUPAC Name:   (2R,3S,5R,7S,7aR)-2,7-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-2H-indene-4-carbaldehyde
Synonyms:   7-Hydroxydeacetylbotryenalol
Molecular Formula:   C15H24O4
Standard InCHIKey:  HFLYKFYHNXRCFY-ZAFNGOSVSA-N
Standard InCHI:  InChI=1S/C15H24O4/c1-8-5-10(18)12-11(9(8)6-16)15(4,7-17)13(19)14(12,2)3/h6,8,10,12-13,17-19H,5,7H2,1-4H3/t8-,10+,12-,13-,15-/m1/s1
Canonical SMILES:  O=CC1=C2[C@@H]([C@H](C[C@H]1C)O)C([C@H]([C@]2(C)CO)O)(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
NPO32658 geniculosporium sp. Species Xylariaceae Eukaryota isolated from the marine red alga Polysiphonia PMID[15787444]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 0 mm 22018878
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 6 mm 22264170

  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 NPC232156 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
0.8276 Intermediate Similarity NPC36350
0.8111 Intermediate Similarity NPC97032
0.7957 Intermediate Similarity NPC111015
0.7927 Intermediate Similarity NPC310608
0.7895 Intermediate Similarity NPC18509
0.7895 Intermediate Similarity NPC190554
0.7872 Intermediate Similarity NPC48330
0.7872 Intermediate Similarity NPC200702
0.7865 Intermediate Similarity NPC197823
0.7857 Intermediate Similarity NPC55872
0.7849 Intermediate Similarity NPC109414
0.7826 Intermediate Similarity NPC183283
0.7791 Intermediate Similarity NPC261125
0.7791 Intermediate Similarity NPC181195
0.7789 Intermediate Similarity NPC173272
0.7789 Intermediate Similarity NPC95565
0.7778 Intermediate Similarity NPC28656
0.7732 Intermediate Similarity NPC144956
0.7732 Intermediate Similarity NPC15390
0.7723 Intermediate Similarity NPC65941
0.7717 Intermediate Similarity NPC77263
0.7717 Intermediate Similarity NPC250592
0.7717 Intermediate Similarity NPC186688
0.7711 Intermediate Similarity NPC261316
0.7711 Intermediate Similarity NPC49737
0.7684 Intermediate Similarity NPC472485
0.7684 Intermediate Similarity NPC472932
0.766 Intermediate Similarity NPC25750
0.766 Intermediate Similarity NPC206810
0.7647 Intermediate Similarity NPC242722
0.764 Intermediate Similarity NPC474748
0.764 Intermediate Similarity NPC476082
0.764 Intermediate Similarity NPC278648
0.7634 Intermediate Similarity NPC477711
0.7629 Intermediate Similarity NPC114274
0.7624 Intermediate Similarity NPC475060
0.7624 Intermediate Similarity NPC83744
0.7624 Intermediate Similarity NPC220229
0.7614 Intermediate Similarity NPC136150
0.7609 Intermediate Similarity NPC328539
0.7609 Intermediate Similarity NPC143767
0.7609 Intermediate Similarity NPC131470
0.7604 Intermediate Similarity NPC192428
0.7604 Intermediate Similarity NPC477853
0.7604 Intermediate Similarity NPC49371
0.7579 Intermediate Similarity NPC245972
0.7579 Intermediate Similarity NPC166906
0.7579 Intermediate Similarity NPC196485
0.7579 Intermediate Similarity NPC298919
0.7558 Intermediate Similarity NPC276769
0.7553 Intermediate Similarity NPC99380
0.7553 Intermediate Similarity NPC185936
0.7553 Intermediate Similarity NPC168027
0.7553 Intermediate Similarity NPC155304
0.7551 Intermediate Similarity NPC83709
0.7551 Intermediate Similarity NPC154072
0.7551 Intermediate Similarity NPC474720
0.7549 Intermediate Similarity NPC217201
0.7549 Intermediate Similarity NPC329417
0.7527 Intermediate Similarity NPC1015
0.7527 Intermediate Similarity NPC275740
0.7527 Intermediate Similarity NPC477943
0.7527 Intermediate Similarity NPC31985
0.7527 Intermediate Similarity NPC86319
0.7526 Intermediate Similarity NPC69385
0.7526 Intermediate Similarity NPC18319
0.7525 Intermediate Similarity NPC260268
0.7525 Intermediate Similarity NPC296945
0.7525 Intermediate Similarity NPC319077
0.7525 Intermediate Similarity NPC149047
0.7525 Intermediate Similarity NPC50692
0.7525 Intermediate Similarity NPC202167
0.7525 Intermediate Similarity NPC85829
0.7525 Intermediate Similarity NPC171137
0.7525 Intermediate Similarity NPC152695
0.7525 Intermediate Similarity NPC150531
0.7525 Intermediate Similarity NPC214264
0.7525 Intermediate Similarity NPC48733
0.7525 Intermediate Similarity NPC302607
0.7525 Intermediate Similarity NPC49958
0.7525 Intermediate Similarity NPC97202
0.7525 Intermediate Similarity NPC476027
0.75 Intermediate Similarity NPC241156
0.75 Intermediate Similarity NPC472493
0.75 Intermediate Similarity NPC37408
0.75 Intermediate Similarity NPC317586
0.75 Intermediate Similarity NPC470016
0.75 Intermediate Similarity NPC472824
0.75 Intermediate Similarity NPC191892
0.7476 Intermediate Similarity NPC11710
0.7475 Intermediate Similarity NPC237190
0.7474 Intermediate Similarity NPC125180
0.7474 Intermediate Similarity NPC250575
0.7473 Intermediate Similarity NPC202868
0.747 Intermediate Similarity NPC173321
0.7451 Intermediate Similarity NPC477916
0.7449 Intermediate Similarity NPC10364
0.7449 Intermediate Similarity NPC222011
0.7449 Intermediate Similarity NPC477854
0.7447 Intermediate Similarity NPC191684
0.7447 Intermediate Similarity NPC136801
0.7444 Intermediate Similarity NPC64600
0.7444 Intermediate Similarity NPC62214
0.7442 Intermediate Similarity NPC124289
0.7442 Intermediate Similarity NPC115719
0.7442 Intermediate Similarity NPC141346
0.7442 Intermediate Similarity NPC25908
0.7442 Intermediate Similarity NPC142759
0.7442 Intermediate Similarity NPC473437
0.7426 Intermediate Similarity NPC204833
0.7426 Intermediate Similarity NPC470838
0.7426 Intermediate Similarity NPC209502
0.7426 Intermediate Similarity NPC477812
0.7423 Intermediate Similarity NPC305483
0.7423 Intermediate Similarity NPC264979
0.7423 Intermediate Similarity NPC328162
0.7423 Intermediate Similarity NPC96859
0.7423 Intermediate Similarity NPC135548
0.7423 Intermediate Similarity NPC125622
0.7419 Intermediate Similarity NPC471722
0.7419 Intermediate Similarity NPC477710
0.7412 Intermediate Similarity NPC102313
0.7412 Intermediate Similarity NPC199316
0.7404 Intermediate Similarity NPC197428
0.7404 Intermediate Similarity NPC235077
0.74 Intermediate Similarity NPC22388
0.74 Intermediate Similarity NPC473424
0.7396 Intermediate Similarity NPC280804
0.7396 Intermediate Similarity NPC196227
0.7391 Intermediate Similarity NPC472494
0.7391 Intermediate Similarity NPC212843
0.7391 Intermediate Similarity NPC474732
0.7391 Intermediate Similarity NPC72133
0.7391 Intermediate Similarity NPC472491
0.7391 Intermediate Similarity NPC474733
0.7391 Intermediate Similarity NPC145879
0.7391 Intermediate Similarity NPC31564
0.7391 Intermediate Similarity NPC474778
0.7391 Intermediate Similarity NPC183736
0.7391 Intermediate Similarity NPC94755
0.7386 Intermediate Similarity NPC246458
0.7386 Intermediate Similarity NPC229204
0.7379 Intermediate Similarity NPC177064
0.7374 Intermediate Similarity NPC205899
0.7368 Intermediate Similarity NPC233116
0.7368 Intermediate Similarity NPC63748
0.7368 Intermediate Similarity NPC23434
0.7368 Intermediate Similarity NPC131872
0.7363 Intermediate Similarity NPC58841
0.7363 Intermediate Similarity NPC329043
0.7363 Intermediate Similarity NPC321187
0.7363 Intermediate Similarity NPC470812
0.7363 Intermediate Similarity NPC161423
0.7363 Intermediate Similarity NPC227064
0.7358 Intermediate Similarity NPC73300
0.7358 Intermediate Similarity NPC194100
0.7358 Intermediate Similarity NPC108721
0.7353 Intermediate Similarity NPC231530
0.7353 Intermediate Similarity NPC323834
0.7353 Intermediate Similarity NPC278628
0.7353 Intermediate Similarity NPC257353
0.7347 Intermediate Similarity NPC320306
0.7347 Intermediate Similarity NPC108078
0.7347 Intermediate Similarity NPC43747
0.734 Intermediate Similarity NPC123912
0.734 Intermediate Similarity NPC326627
0.734 Intermediate Similarity NPC473100
0.734 Intermediate Similarity NPC232747
0.734 Intermediate Similarity NPC310010
0.7333 Intermediate Similarity NPC133844
0.7327 Intermediate Similarity NPC470839
0.7327 Intermediate Similarity NPC311612
0.7327 Intermediate Similarity NPC270046
0.7327 Intermediate Similarity NPC117185
0.7327 Intermediate Similarity NPC159442
0.7327 Intermediate Similarity NPC251017
0.732 Intermediate Similarity NPC297199
0.732 Intermediate Similarity NPC473170
0.732 Intermediate Similarity NPC127063
0.732 Intermediate Similarity NPC138245
0.732 Intermediate Similarity NPC255809
0.732 Intermediate Similarity NPC469873
0.732 Intermediate Similarity NPC231060
0.732 Intermediate Similarity NPC279313
0.732 Intermediate Similarity NPC84018
0.732 Intermediate Similarity NPC29112
0.7312 Intermediate Similarity NPC475740
0.7312 Intermediate Similarity NPC312215
0.7312 Intermediate Similarity NPC58063
0.7292 Intermediate Similarity NPC470375
0.7292 Intermediate Similarity NPC477435
0.7292 Intermediate Similarity NPC181594
0.7292 Intermediate Similarity NPC475255
0.7292 Intermediate Similarity NPC477436
0.7292 Intermediate Similarity NPC470376
0.7292 Intermediate Similarity NPC472930
0.7292 Intermediate Similarity NPC59350
0.7292 Intermediate Similarity NPC69454
0.7292 Intermediate Similarity NPC144739
0.7292 Intermediate Similarity NPC477855

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC232156 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
0.7895 Intermediate Similarity NPD4755 Approved
0.7732 Intermediate Similarity NPD4700 Approved
0.7732 Intermediate Similarity NPD4696 Approved
0.7732 Intermediate Similarity NPD5285 Approved
0.7732 Intermediate Similarity NPD5286 Approved
0.7604 Intermediate Similarity NPD4697 Phase 3
0.7576 Intermediate Similarity NPD5211 Phase 2
0.7576 Intermediate Similarity NPD5225 Approved
0.7576 Intermediate Similarity NPD5224 Approved
0.7576 Intermediate Similarity NPD5226 Approved
0.7576 Intermediate Similarity NPD4633 Approved
0.7527 Intermediate Similarity NPD5328 Approved
0.75 Intermediate Similarity NPD5175 Approved
0.75 Intermediate Similarity NPD5174 Approved
0.7475 Intermediate Similarity NPD5223 Approved
0.7474 Intermediate Similarity NPD4202 Approved
0.7426 Intermediate Similarity NPD5141 Approved
0.7404 Intermediate Similarity NPD4634 Approved
0.7368 Intermediate Similarity NPD6079 Approved
0.7363 Intermediate Similarity NPD3665 Phase 1
0.7363 Intermediate Similarity NPD3666 Approved
0.7363 Intermediate Similarity NPD3133 Approved
0.7353 Intermediate Similarity NPD6675 Approved
0.7353 Intermediate Similarity NPD6402 Approved
0.7353 Intermediate Similarity NPD7128 Approved
0.7353 Intermediate Similarity NPD5739 Approved
0.7353 Intermediate Similarity NPD4767 Approved
0.7353 Intermediate Similarity NPD4768 Approved
0.734 Intermediate Similarity NPD4753 Phase 2
0.7327 Intermediate Similarity NPD4754 Approved
0.7282 Intermediate Similarity NPD5701 Approved
0.7282 Intermediate Similarity NPD5697 Approved
0.7245 Intermediate Similarity NPD5222 Approved
0.7245 Intermediate Similarity NPD5221 Approved
0.7245 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD6899 Approved
0.7212 Intermediate Similarity NPD4730 Approved
0.7212 Intermediate Similarity NPD4729 Approved
0.7212 Intermediate Similarity NPD6881 Approved
0.7212 Intermediate Similarity NPD5128 Approved
0.7212 Intermediate Similarity NPD7320 Approved
0.7204 Intermediate Similarity NPD3618 Phase 1
0.7174 Intermediate Similarity NPD4786 Approved
0.7172 Intermediate Similarity NPD5173 Approved
0.7143 Intermediate Similarity NPD6012 Approved
0.7143 Intermediate Similarity NPD6373 Approved
0.7143 Intermediate Similarity NPD3667 Approved
0.7143 Intermediate Similarity NPD6372 Approved
0.7143 Intermediate Similarity NPD6014 Approved
0.7143 Intermediate Similarity NPD6013 Approved
0.7075 Intermediate Similarity NPD5250 Approved
0.7075 Intermediate Similarity NPD5251 Approved
0.7075 Intermediate Similarity NPD5248 Approved
0.7075 Intermediate Similarity NPD7290 Approved
0.7075 Intermediate Similarity NPD5249 Phase 3
0.7075 Intermediate Similarity NPD7102 Approved
0.7075 Intermediate Similarity NPD6883 Approved
0.7075 Intermediate Similarity NPD5247 Approved
0.7048 Intermediate Similarity NPD6011 Approved
0.7037 Intermediate Similarity NPD4632 Approved
0.7021 Intermediate Similarity NPD5279 Phase 3
0.7019 Intermediate Similarity NPD6008 Approved
0.7009 Intermediate Similarity NPD6650 Approved
0.7009 Intermediate Similarity NPD5215 Approved
0.7009 Intermediate Similarity NPD6617 Approved
0.7009 Intermediate Similarity NPD6847 Approved
0.7009 Intermediate Similarity NPD8130 Phase 1
0.7009 Intermediate Similarity NPD5217 Approved
0.7009 Intermediate Similarity NPD6649 Approved
0.7009 Intermediate Similarity NPD6869 Approved
0.7009 Intermediate Similarity NPD5216 Approved
0.697 Remote Similarity NPD5210 Approved
0.697 Remote Similarity NPD4629 Approved
0.6957 Remote Similarity NPD4221 Approved
0.6957 Remote Similarity NPD4223 Phase 3
0.6944 Remote Similarity NPD8297 Approved
0.6944 Remote Similarity NPD6882 Approved
0.6923 Remote Similarity NPD5368 Approved
0.6916 Remote Similarity NPD5169 Approved
0.6916 Remote Similarity NPD5135 Approved
0.6916 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6852 Remote Similarity NPD5127 Approved
0.6847 Remote Similarity NPD6009 Approved
0.6832 Remote Similarity NPD6084 Phase 2
0.6832 Remote Similarity NPD6083 Phase 2
0.6814 Remote Similarity NPD6319 Approved
0.6814 Remote Similarity NPD6054 Approved
0.6814 Remote Similarity NPD6059 Approved
0.6809 Remote Similarity NPD4197 Approved
0.68 Remote Similarity NPD5695 Phase 3
0.6792 Remote Similarity NPD6412 Phase 2
0.6789 Remote Similarity NPD6053 Discontinued
0.6774 Remote Similarity NPD6435 Approved
0.6768 Remote Similarity NPD6399 Phase 3
0.6757 Remote Similarity NPD6274 Approved
0.6754 Remote Similarity NPD6015 Approved
0.6754 Remote Similarity NPD6016 Approved
0.6739 Remote Similarity NPD4748 Discontinued
0.6737 Remote Similarity NPD5329 Approved
0.6703 Remote Similarity NPD3617 Approved
0.6701 Remote Similarity NPD4518 Approved
0.6696 Remote Similarity NPD6370 Approved
0.6696 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD4694 Approved
0.6667 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD4692 Approved
0.6667 Remote Similarity NPD5167 Approved
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD5280 Approved
0.6667 Remote Similarity NPD4139 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD5284 Approved
0.6632 Remote Similarity NPD3668 Phase 3
0.6609 Remote Similarity NPD5983 Phase 2
0.6602 Remote Similarity NPD7638 Approved
0.6602 Remote Similarity NPD5696 Approved
0.66 Remote Similarity NPD5778 Approved
0.66 Remote Similarity NPD5779 Approved
0.6581 Remote Similarity NPD7492 Approved
0.6579 Remote Similarity NPD7100 Approved
0.6579 Remote Similarity NPD7101 Approved
0.6574 Remote Similarity NPD5168 Approved
0.6556 Remote Similarity NPD3703 Phase 2
0.6549 Remote Similarity NPD6317 Approved
0.6538 Remote Similarity NPD7640 Approved
0.6538 Remote Similarity NPD7639 Approved
0.6535 Remote Similarity NPD5282 Discontinued
0.6526 Remote Similarity NPD4788 Approved
0.6526 Remote Similarity NPD5362 Discontinued
0.6525 Remote Similarity NPD6616 Approved
0.65 Remote Similarity NPD7515 Phase 2
0.65 Remote Similarity NPD7319 Approved
0.6496 Remote Similarity NPD7604 Phase 2
0.6495 Remote Similarity NPD7521 Approved
0.6495 Remote Similarity NPD7334 Approved
0.6495 Remote Similarity NPD5330 Approved
0.6495 Remote Similarity NPD7146 Approved
0.6495 Remote Similarity NPD6409 Approved
0.6495 Remote Similarity NPD6684 Approved
0.6491 Remote Similarity NPD6313 Approved
0.6491 Remote Similarity NPD6335 Approved
0.6491 Remote Similarity NPD6314 Approved
0.6471 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6471 Remote Similarity NPD8293 Discontinued
0.6471 Remote Similarity NPD7078 Approved
0.6466 Remote Similarity NPD6908 Approved
0.6466 Remote Similarity NPD6909 Approved
0.6465 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6465 Remote Similarity NPD6101 Approved
0.6458 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6929 Approved
0.6429 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6417 Remote Similarity NPD7736 Approved
0.6415 Remote Similarity NPD7632 Discontinued
0.64 Remote Similarity NPD5785 Approved
0.64 Remote Similarity NPD4096 Approved
0.6392 Remote Similarity NPD1696 Phase 3
0.6392 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5363 Approved
0.6387 Remote Similarity NPD6336 Discontinued
0.6383 Remote Similarity NPD7525 Registered
0.6383 Remote Similarity NPD4695 Discontinued
0.6383 Remote Similarity NPD4820 Approved
0.6383 Remote Similarity NPD4821 Approved
0.6383 Remote Similarity NPD6930 Phase 2
0.6383 Remote Similarity NPD4819 Approved
0.6383 Remote Similarity NPD6931 Approved
0.6383 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4822 Approved
0.6374 Remote Similarity NPD7339 Approved
0.6374 Remote Similarity NPD6942 Approved
0.6364 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6903 Approved
0.6364 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6695 Phase 3
0.6344 Remote Similarity NPD4268 Approved
0.6344 Remote Similarity NPD6114 Approved
0.6344 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6344 Remote Similarity NPD6697 Approved
0.6344 Remote Similarity NPD6115 Approved
0.6344 Remote Similarity NPD6118 Approved
0.6344 Remote Similarity NPD4271 Approved
0.6327 Remote Similarity NPD5786 Approved
0.6325 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5369 Approved
0.6293 Remote Similarity NPD4522 Approved
0.6281 Remote Similarity NPD6033 Approved
0.6277 Remote Similarity NPD4195 Approved
0.6275 Remote Similarity NPD5133 Approved

Structure

External Identifiers

PubChem CID   11334679
ChEMBL   CHEMBL517702
ZINC  

Physicochemical Properties

Molecular Weight:  268.17
ALogP:  -0.1414
MLogP:  2.67
XLogP:  -0.063
# Rotatable Bonds:  9
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
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