ID: 100402
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C(C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.855
InChIKey:VBMSTUJNROPVAW-UHFFFAOYSA-N
ID: 100403
SMILES:C1C(O)C(C)=CC2c3c(cc(C)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 100404
SMILES:C(=O)(CC(C)=CCc1c(OC)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:WIXPCHIMOONVHR-UHFFFAOYSA-N
ID: 100405
SMILES:C(c1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2)(=CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.622
CB1 binding score: -13.968
InChIKey:GEBRSKADFPTHAM-UHFFFAOYSA-N
ID: 100406
SMILES:CC(C)(O)C(CCc1cc2c(c(O)c1)C1CCC(=C)C(CC=C(C)C)C1O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -12.632
InChIKey:OOJVDJLPBZIXSR-UHFFFAOYSA-N
ID: 100407
SMILES:C(C1OC(CCC(C)(C)O)c2c3c(ccc21)C1C(CCC(C)=C1)C(C)(C)O3)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -13.716
InChIKey:GRTRKGUUAABGJP-UHFFFAOYSA-N
ID: 100408
SMILES:C(Oc1c(O)cc(CCCCC)cc1OC)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.515
InChIKey:IJACPYJOZRLYLT-UHFFFAOYSA-N
ID: 100409
SMILES:o1c(CC=C(CC(C=C(C)C)=O)C)c(O)c2c1CC1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -12.82
InChIKey:IZGZDBYCNAULBV-UHFFFAOYSA-N
ID: 100410
SMILES:C1(C)=CCCC(C)=CCC(c2c(O)cc(O)cc2CCCCC)=CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -12.915
InChIKey:BOXKRHGXTYWHGF-UHFFFAOYSA-N
ID: 100411
SMILES:C(C=Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)(C)CCCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -12.805
InChIKey:DLPJRZVZRQUFCQ-UHFFFAOYSA-N
ID: 100412
SMILES:C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.691
InChIKey:ZBBXHJRPBQMOEE-UHFFFAOYSA-N
ID: 100413
SMILES:c1(CCCCC)c(N)c2c(c(O)c1)C1C(=C(C)C2)CCC(C(CCCC(C)=C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 407.642
CB1 binding score: -14.782
InChIKey:XSWHBFINQRMBPN-UHFFFAOYSA-N
ID: 100414
SMILES:C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -15.058
InChIKey:XYBSJADYVUNOCQ-UHFFFAOYSA-N
ID: 100415
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.354
InChIKey:LOTJAJIHOKJTOT-UHFFFAOYSA-N
ID: 100416
SMILES:C12C(c3c(cc(CCCCC)cc3OC(=O)C)OC1=O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -14.418
InChIKey:DGFAPOAOAKDLNA-UHFFFAOYSA-N
ID: 100417
SMILES:C(C(C1(C)OC(C)(C)C(Br)CC1O)O)CC(C)=CCc1c(OC)cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 471.432
CB1 binding score: -13.847
InChIKey:LSTWZGRFNWFKRM-UHFFFAOYSA-N
ID: 100418
SMILES:C(CCC)Cc1ccc2c(c1)C1C(C(C)(C)O2)Cc2c(O)cc3c(c2C1=O)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.706
CB1 binding score: -13.442
InChIKey:PHPBODNTKWVUAL-UHFFFAOYSA-N
ID: 100419
SMILES:C(=C(C)CC(C=C(C)C=O)O)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -12.408
InChIKey:BVGGCFXBHPPIFZ-UHFFFAOYSA-N
ID: 100420
SMILES:C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2C(C(C)=C)CCC21C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -14.052
InChIKey:LXFXESOVTZVYBQ-UHFFFAOYSA-N
ID: 100421
SMILES:N(C)(C(OC1c2c3c(c(C)cc2OC1=O)C1C(CCC(C)=C1)C(C)(C)O3)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.46
CB1 binding score: -16.3
InChIKey:DRYSMKLETIZEBY-UHFFFAOYSA-N
ID: 100422
SMILES:c1c(C(=O)C)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.914
InChIKey:AMHTVROHLKPQQT-UHFFFAOYSA-N