ID: 69112
SMILES:Oc1c2c(ccc1OC)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.374
CB1 binding score: -16.502
InChIKey:PECYEYFSLUJMQV-UHFFFAOYSA-N
ID: 69113
SMILES:OC(C(O)CC1CC(C)(C)Oc2c1cc(CCCCC)cc2O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: Not available
InChIKey:SSGBWKCITVDFBT-UHFFFAOYSA-N
ID: 69114
SMILES:O=C(C)Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.166
InChIKey:WPRGTCVOBXQUHO-UHFFFAOYSA-N
ID: 69115
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)=CCC2C(C)(C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.691
InChIKey:PTSNMEFKOMATBO-UHFFFAOYSA-N
ID: 69116
SMILES:C1C(C)c2c(O)cc(CCCCC)cc2OC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -15.484
InChIKey:AKHYOTWLURHIMA-UHFFFAOYSA-N
ID: 69117
SMILES:c1(CCCCC)c(C2C(O)C(O)C(O)C(CO)O2)c(OCC=C(C)CCC=C(C)C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -17.12
InChIKey:BGUWINQOZRKFJH-UHFFFAOYSA-N
ID: 69118
SMILES:C1C(=O)C2(C)Oc3c(c(O)cc(CCCCC)c3)CC2C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.96
InChIKey:AGFIEBPAKAAFSE-UHFFFAOYSA-N
ID: 69119
SMILES:C12C(C)(C)Oc3cc(C)cc(O)c3C1C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -18.57
InChIKey:JWVNDMUNWMFDDK-UHFFFAOYSA-N
ID: 69120
SMILES:C12C(C)C(=O)CC1C(C)=CC(C(C(C)C)C)c1c(c(O)cc(CCC)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.776
InChIKey:HFRSVFWJXJWXOR-UHFFFAOYSA-N
ID: 69121
SMILES:Oc1c(C=CC=C)c(OC)c2c(c1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.461
InChIKey:YDQMJDZDOSKDIB-UHFFFAOYSA-N
ID: 69122
SMILES:CC(=O)OCC1=CC2c3c(cc(CCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.499
InChIKey:ZEQOYYZVFGLRBF-UHFFFAOYSA-N
ID: 69123
SMILES:C1(OC)C=CC(C)(C)CC1(c1c(O)cc(CCCC(C)C2=CC(=O)C(C)(C)O2)cc1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -16.613
InChIKey:YXRZCZTVAZGSQM-UHFFFAOYSA-N
ID: 69124
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 69125
SMILES:C1(C(C)(C)O)C(c2c(O)cc(CCCC)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -16.11
InChIKey:LGADMXTXAORNBO-UHFFFAOYSA-N
ID: 69126
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 69127
SMILES:C12(C)CC(c3c(O)cc(CCCCC)cc3OC1)C(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.096
InChIKey:YROPKNBYZLTFOL-UHFFFAOYSA-N
ID: 69128
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(=C)C)CC=C(CCCC(C)=C2)C(=O)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -16.279
InChIKey:AZQVGKKIEFBPQS-UHFFFAOYSA-N
ID: 69129
SMILES:C(C)(=CCCC(=CCOc1c(O)c(C(OC)=O)cc(CCCCC)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.998
InChIKey:FMYRKHGZTAURCL-UHFFFAOYSA-N
ID: 69130
SMILES:C1CC2(C)CC3C1c1c(O)cc(CCC)cc1OC(C)(C)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -12.167
InChIKey:YQTUBGHXNFWYCE-UHFFFAOYSA-N
ID: 69131
SMILES:CC(CCCC(C)C)c1c(O)c2c(c(C(=O)CCC)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.573
InChIKey:QMDFIUGHJNVUPT-UHFFFAOYSA-N
ID: 69132
SMILES:CCCCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N