ID: 116089
SMILES:c1c(-c2c(OC)ccc3c2CC#CC2C(C(C)(C#N)C(C)C=C2C(=O)CC(C)C)C(C)(C)O3)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 495.663
CB1 binding score: -16.34
InChIKey:CFWCIOXNAAHWFG-UHFFFAOYSA-N
ID: 116090
SMILES:CC1C2=C(c3ccc(CCCCC)cc31)CC(CC=C(C)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -15.337
InChIKey:XPGXABUEWMGCRM-UHFFFAOYSA-N
ID: 116091
SMILES:c12c(c3c(cc1)C1C=C(C)CC(O)C1C(C)(C)O3)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.416
InChIKey:BZXLTIXBTRCHII-UHFFFAOYSA-N
ID: 116092
SMILES:C12CCC3(C)C(O3)C1c1c(cc(C(CCC)COC(C)=O)c(C)c1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.847
InChIKey:ZSAUGCDKQOAHIY-UHFFFAOYSA-N
ID: 116093
SMILES:c1(C(=O)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.068
InChIKey:CPZWKXRSBORARS-UHFFFAOYSA-N
ID: 116094
SMILES:c1(O)c(OC)c(C2C(C(C)=C)CCC(C)=C2)c(OC)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.422
InChIKey:OCDLRMRUOQKAKV-UHFFFAOYSA-N
ID: 116095
SMILES:CC(=O)Oc1c(C2C(C(C)=C)CCC(C)C2)c(O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.857
InChIKey:OSISIWMKDFFBPQ-UHFFFAOYSA-N
ID: 116096
SMILES:C(Cc1cc(C(O)=O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.318
InChIKey:IQJXVZYQYIHZLI-UHFFFAOYSA-N
ID: 116097
SMILES:c1(O)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.426
InChIKey:VEMSIANQFMHFRO-UHFFFAOYSA-N
ID: 116098
SMILES:CC1(C)C(C2(C)CCC(C)(C(CCC=C(C)C)O)CC2)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -14.41
InChIKey:SVFNCWUWVAFGSK-UHFFFAOYSA-N
ID: 116099
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.797
InChIKey:KERKCYZDMNZUKU-UHFFFAOYSA-N
ID: 116100
SMILES:c1(OC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.88
InChIKey:QPJZATIMFVDWEL-UHFFFAOYSA-N
ID: 116101
SMILES:C(c1cc(O)c(C2(O)COc3cc(C)c4c(c32)C(C)CCC4)c(CCCCC)c1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -17.106
InChIKey:UJASLLLUQDVGOX-UHFFFAOYSA-N
ID: 116102
SMILES:C(=C(C)C)CCC(=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
ID: 116103
SMILES:Oc1c(C2C=C(C)CCC2C(=CC(CC(C)C)=O)C)cc(CC(C)C)cc1C(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -17.416
InChIKey:UQLOMMIUNLWSOK-UHFFFAOYSA-N
ID: 116104
SMILES:c1(C(O)CC(=O)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.091
InChIKey:NXVBEAQGVRCDRM-UHFFFAOYSA-N
ID: 116105
SMILES:c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 116106
SMILES:c1(CC)c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.638
InChIKey:HUDHYAQXVVWHPV-UHFFFAOYSA-N
ID: 116107
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 116108
SMILES:C1CC2C(C)(C)Oc3cc(C)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 116109
SMILES:C(Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(=C)C)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.7
InChIKey:YEYJXZSYCAYORL-UHFFFAOYSA-N