ID: 85114
SMILES:C1(C)=CCCC2(C)Oc3c(c(O)cc(CCCCC)c3)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.95
InChIKey:GWXKNDDGRXYVFE-UHFFFAOYSA-N
ID: 85115
SMILES:c12c(c(Cl)c(OC)cc1OC)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.815
CB1 binding score: -16.03
InChIKey:USIXRVLZVPNHBP-UHFFFAOYSA-N
ID: 85116
SMILES:Oc1c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 85117
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 85118
SMILES:c1c2c(cc(CCCCC)c1)OC(C1CCC(C)CC1O)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -11.028
InChIKey:XGETYYUIJPNPQQ-UHFFFAOYSA-N
ID: 85119
SMILES:C(C=C(C)C)c1c2c(c(O)c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -14.785
InChIKey:CAJIUUXLRRYZRB-UHFFFAOYSA-N
ID: 85120
SMILES:O1C(C)(C)C(O)Cc2c(O)cc3c(c21)CC=C1CC(C)(C)CC31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: Not available
InChIKey:RTTSPZWDNNQILA-UHFFFAOYSA-N
ID: 85121
SMILES:C=C(C)C1C(c2ccc(CCCCCC)cc2O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.318
InChIKey:UKKOYTXYJOIWRI-UHFFFAOYSA-N
ID: 85122
SMILES:CC1(CCCC(C)=C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.693
InChIKey:WSEYAJSVUKANLY-UHFFFAOYSA-N
ID: 85123
SMILES:C1C2C(OC)(C)CCC2C(C)(C)Oc2cc(O)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.374
InChIKey:MDRIJLYDARXJTF-UHFFFAOYSA-N
ID: 85124
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 85125
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)OC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.167
InChIKey:QYJGHZXOIWLFTA-UHFFFAOYSA-N
ID: 85126
SMILES:CC1(CCC=C(C)C)Oc2cc(C)c(CCN)c(O)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -14.591
InChIKey:IGOBGDXRUQRMNV-UHFFFAOYSA-N
ID: 85127
SMILES:C(C)(CCC=C(C)C)C1C(CCC(OC)=O)Cc2c(O)c(C(C(=CCCCCCC)C)C)cc(O)c2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.775
CB1 binding score: -12.225
InChIKey:WBVUWFDDENQCFT-UHFFFAOYSA-N
ID: 85128
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 85129
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -16.934
InChIKey:RBOFETJAAOBFKI-UHFFFAOYSA-N
ID: 85130
SMILES:C(CCCC)c1cc2c(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: 85131
SMILES:c1(O)cc(CCCCC)c(C2C(C(C)(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.689
InChIKey:DZBVCKGKQYRDQO-UHFFFAOYSA-N
ID: 85132
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85133
SMILES:C1(C)=Cc2c(O)c(C(=O)O)c(CCCCC)cc2OC1(C)CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -16.081
InChIKey:IFGDLBJKIOPBDP-UHFFFAOYSA-N
ID: 85134
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N