ID: 55357
SMILES:CC(C)=CCCC(C)=CCCC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 55358
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 55359
SMILES:c1c(CCCCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 55360
SMILES:C1(C)=CC2C(CC1OC(C)=O)C(C)(C)Oc1c2c(O)c(C(C=C)(C)CCC=C(C)C)c(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: Not available
InChIKey:CUJLPPCGNKQRLX-UHFFFAOYSA-N
ID: 55361
SMILES:C1(C)CCC2C(C1OC)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.167
InChIKey:ZLDAIILNLICCOH-UHFFFAOYSA-N
ID: 55362
SMILES:C12(CCC(C)CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.655
InChIKey:JTYYREOMJJGSJT-UHFFFAOYSA-N
ID: 55363
SMILES:CCCCCCc1cc2c(c(O)c1)C1CC(C)(C)CC(C(C)=C)C1c1c(O)cc(CCCCC)c(C(=O)O)c1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -15.878
InChIKey:PSSMSQIZDGEFQS-UHFFFAOYSA-N
ID: 55364
SMILES:C(C)(C)=CCCC(C)=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 55365
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 55366
SMILES:OC1C(C)C2C(C(=C)COc3c(O)c(O)cc(CCCCCC)c3)CC2=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.843
InChIKey:OBPDRWDDHMOGHW-UHFFFAOYSA-N
ID: 55367
SMILES:c1(O)cc(CCCCC)c(C(=O)O)c(O)c1CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 55368
SMILES:C(C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.491
InChIKey:MENBFTCDHIEHSW-UHFFFAOYSA-N
ID: 55369
SMILES:c12c(C(=O)O)c(CCCCC)cc(O)c1OC(C)(C)C1CCC(CO)(O)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -16.156
InChIKey:UNUYHNKLKNTIRW-UHFFFAOYSA-N
ID: 55370
SMILES:CC(C)=CCCC(CCc1c(O)cc(CCC)cc1O)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -15.71
InChIKey:FPPFVFBHAIAXRR-UHFFFAOYSA-N
ID: 55371
SMILES:C(=C(CC(C=C(C)C)OC(C)=O)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.254
InChIKey:XDXPDHUATMMQNF-UHFFFAOYSA-N
ID: 55372
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55373
SMILES:C(c1c(C2C(C)(C)C(O)C(C)=C2)c(O)cc(O)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -11.577
InChIKey:IGUGIOBVDWYCJK-UHFFFAOYSA-N
ID: 55374
SMILES:c1(O)c2c(cc(CCCC)c1O)OC(C)(C)C1C2CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.048
InChIKey:SUQBVCZKFKDPFR-UHFFFAOYSA-N
ID: 55375
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(Br)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -17.342
InChIKey:NXKAKZZDJLSBSI-UHFFFAOYSA-N
ID: 55376
SMILES:COc1c(O)c(OC)cc2c1C1(C(CC)=O)CC(C)C(C)(C)OC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.745
InChIKey:LZOLXMCLUHGGJB-UHFFFAOYSA-N
ID: 55377
SMILES:C123C(OC(C(C)(C)C)c4c(O)c(C(O)=O)c(CCCCC)cc4O1)C(C(C)C)(O2)CCC(C)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -16.288
InChIKey:CLYHHSDYZSEQRP-UHFFFAOYSA-N