ID: 87088
SMILES:C1C(Br)C(C)(C)OC(c2c(O)cc(CCCCCO)cc2OC)=C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 415.324
CB1 binding score: -16.086
InChIKey:XSPOUPQVGXWDBE-UHFFFAOYSA-N
ID: 87089
SMILES:C(=O)(C(=CC)C)Oc1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.866
InChIKey:OGYBUHSFXIAWKR-UHFFFAOYSA-N
ID: 87090
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(O)(C)C1)C)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.957
InChIKey:AKFZIMAYJQSYPV-UHFFFAOYSA-N
ID: 87091
SMILES:c1(O)cc2c(cc1CCCCCCC)OC(C1CC=C(C)CC1)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.527
InChIKey:QEUBPWIUEYLRGS-UHFFFAOYSA-N
ID: 87092
SMILES:c1(CCO)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.582
InChIKey:PDYKIGRVNVKGPA-UHFFFAOYSA-N
ID: 87093
SMILES:CC1(C)CCCC2(C)c3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.093
InChIKey:MGPPACJBMUXEFT-UHFFFAOYSA-N
ID: 87094
SMILES:CC(C)(C=CC(C(C)CCCC(C)=CCc1c(O)cc(CCC)cc1O)O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -15.507
InChIKey:PQVHOLFXEOMFQK-UHFFFAOYSA-N
ID: 87095
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 87096
SMILES:c1(CC=C(C)CCC(C(C)=C)O)c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.334
InChIKey:PMJIPRAJBQVSJQ-UHFFFAOYSA-N
ID: 87097
SMILES:CCCCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 87098
SMILES:C(CC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.961
InChIKey:XNJZGZKQILOBLQ-UHFFFAOYSA-N
ID: 87099
SMILES:C(CCCC)c1c2c(ccc1C)C1(O)CC(C(O)(C)C)OC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.342
InChIKey:HWRHUDRVMLBSES-UHFFFAOYSA-N
ID: 87100
SMILES:C1=CC(C(C)=C)C2c3c(O)cc(CCS(=O)(=O)C)cc3OC2(C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.529
CB1 binding score: -15.622
InChIKey:VVCMLDZXVGLAPY-UHFFFAOYSA-N
ID: 87101
SMILES:C(C1=C2CC(C(O)(C)C)C(c3c(O)cc(CCCCC)cc3O2)CC1C(=C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -12.555
InChIKey:LLMGAPXRRVWNDJ-UHFFFAOYSA-N
ID: 87102
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(CCC=C(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.577
InChIKey:CRCVVYXKRNFYFQ-UHFFFAOYSA-N
ID: 87103
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCc1c2c(cccc2)[nH]c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 429.604
CB1 binding score: Not available
InChIKey:FRGZCDWLXMBZBO-UHFFFAOYSA-N
ID: 87104
SMILES:C1(C(C)=C)C(c2c(OC)ccc(CCN(C)C)c2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 87105
SMILES:C12C(C(C)(C)Oc3cc(CO)cc(O)c31)CCC2(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -17.176
InChIKey:FQEYDUPZLZNQTL-UHFFFAOYSA-N
ID: 87106
SMILES:C12C(C)CCC13C(C)(C)Oc1c(c(O)cc(C)c1)C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -14.495
InChIKey:KZYKQMPMXXJFJZ-UHFFFAOYSA-N
ID: 87107
SMILES:c1(CC=C(C)CCC=C(C)C)cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 87108
SMILES:CC(=CCc1c(O)c2c(c(C)c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.761
InChIKey:FYRVTVCQCKOBPT-UHFFFAOYSA-N