ID: 78100
SMILES:C(C=C(C)C)c1ccc2c(c1O)C(=O)C1C(C)(C)OC(C)(C)C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -13.146
InChIKey:JJOOTTQBDKLAJC-UHFFFAOYSA-N
ID: 78101
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.048
InChIKey:FUZJMTMPVZRGQF-UHFFFAOYSA-N
ID: 78102
SMILES:c1(C(=O)C(CC)C)c(O)cc(O)c2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.704
InChIKey:KZEIZJZQDUBLIT-UHFFFAOYSA-N
ID: 78103
SMILES:C1(C2(C)C(C(CC(=CCc3c(O)c(C)cc(O)c3)C)O)O2)CCC(C)=CC1c1cc(CC=C(C)C)c(OC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.747
CB1 binding score: -14.635
InChIKey:UKDPWUPOULUBQN-UHFFFAOYSA-N
ID: 78104
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2)C=C(C=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.333
InChIKey:HRIAHIBPISIAEK-UHFFFAOYSA-N
ID: 78105
SMILES:C1CC(C)C=C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 78106
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(O)CCC1C(C)(C)O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 332.484
CB1 binding score: -15.333
InChIKey:OPFKDAKIFLINCD-UHFFFAOYSA-N
ID: 78107
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CCC=C(CO)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -18.228
InChIKey:SAWNNGMERXUILP-UHFFFAOYSA-N
ID: 78108
SMILES:C1=CC(C)=CC2C(O)(C1)C(C)(C)Oc1c2c(O)cc(CC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.444
InChIKey:BKVCGKGDJMKDDN-UHFFFAOYSA-N
ID: 78109
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.63
InChIKey:LAYHJCJKKWVWTP-UHFFFAOYSA-N
ID: 78110
SMILES:C12(O)C(C)(C)CCCC1(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.749
InChIKey:LDVUCZWICAXWJG-UHFFFAOYSA-N
ID: 78111
SMILES:Oc1cc(CCC(O)C(C)(C)O)cc2c1C1C(C)(CCC1C(C)(O)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -16.182
InChIKey:VYCVJVTUMSUAOO-UHFFFAOYSA-N
ID: 78112
SMILES:COc1c(OC)cc(CCc2cc(O)c(C3C(CC=C(C)C)C(C)(CCC=C(C)C)C=C3)c(C)c2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.739
CB1 binding score: -15.056
InChIKey:RMOYNADZBYICLC-UHFFFAOYSA-N
ID: 78113
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(C)C3CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.549
InChIKey:PHAHDPYVCSOKEE-UHFFFAOYSA-N
ID: 78114
SMILES:C1C(COC(CCCCCCC)=O)=CCC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.693
CB1 binding score: -16.499
InChIKey:QZOYLKZCQIDLCC-UHFFFAOYSA-N
ID: 78115
SMILES:O(c1ccc(C=CC=O)cc1OC)C1C2C(C(O)CC(C=O)=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.649
CB1 binding score: -12.44
InChIKey:IMMALEIMVFLUTI-UHFFFAOYSA-N
ID: 78116
SMILES:C1=CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.434
InChIKey:BATBGUNYNJVGHR-UHFFFAOYSA-N
ID: 78117
SMILES:CC(=CCCC(=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 78118
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 78119
SMILES:C1(O)C(C)(C)Oc2c(C(=O)C(C)CC)c(O)cc(CCCCC)c2-1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -13.188
InChIKey:RHKIDZAIAGXMEN-UHFFFAOYSA-N
ID: 78120
SMILES:C1(C)(C)Oc2c(c3c(c(C)c2)OC(C)(CCC=C(C)C)C=C3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.918
InChIKey:JTMPHQAKUIZUQZ-UHFFFAOYSA-N