ID: 90091
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: 90092
SMILES:CC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.943
InChIKey:VXGKLDGOVIXPAH-UHFFFAOYSA-N
ID: 90093
SMILES:c1(C(=O)O)cc(CCCCC)c(O)c2c1OC1(C)CC2C(=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.799
InChIKey:AWBYJKLXSCXJRX-UHFFFAOYSA-N
ID: 90094
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCCCCC)c3)C3C(C)COC13C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -19.165
InChIKey:IBNSQDSQHHZTLU-UHFFFAOYSA-N
ID: 90095
SMILES:C(CC=C(C)C)C(=CCc1c(C(=O)C(CC)C)cc(OC(C)=O)c(C2C(C(C)C)CCC(C)=C2)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -15.761
InChIKey:OGBHBTZMWBTZOP-UHFFFAOYSA-N
ID: 90096
SMILES:C(C)(C1CC(=O)C(C)=C(C)C1)c1cc(CCCCCCC)ccc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.59
InChIKey:BGMKZSVLSIBLIF-UHFFFAOYSA-N
ID: 90097
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(=O)O)c2c1C1C(C(C)(CO)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.552
InChIKey:WBVJZBUCFTXHRA-UHFFFAOYSA-N
ID: 90098
SMILES:c1(O)c2c(c(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.585
InChIKey:HSSWXEGGDNCSBM-UHFFFAOYSA-N
ID: 90099
SMILES:CCCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -18.607
InChIKey:UHCTYPZAFAWOOW-UHFFFAOYSA-N
ID: 90100
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90101
SMILES:c1(CCCCC)cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 90102
SMILES:C(=C(C)C)CCC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.082
InChIKey:ANTQYSKISJLWBD-UHFFFAOYSA-N
ID: 90103
SMILES:C(CCCC)(=C(C)C)Oc1c2c(cc(O)c1C1C(=O)OC(O)C1O)CC(C)=CCCC2COC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.604
CB1 binding score: -15.849
InChIKey:YFEGEGPGYNZRJX-UHFFFAOYSA-N
ID: 90104
SMILES:C1C(C(C)C)C2c3c(O)cc(CCCC)cc3C=C2C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 298.47
CB1 binding score: -14.216
InChIKey:CSYHHNJGDIUNFR-UHFFFAOYSA-N
ID: 90105
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)cc2c(c1)C=CC(C(C)(C)O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.368
InChIKey:RWLRMLKAMMHFGI-UHFFFAOYSA-N
ID: 90106
SMILES:C1(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(CC2)C=CC(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.688
InChIKey:LDZRBSDKAMVKJX-UHFFFAOYSA-N
ID: 90107
SMILES:C1(C)=CC(O)C2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.567
InChIKey:URRJUSLCXVXZOX-UHFFFAOYSA-N
ID: 90108
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1c-2c(O)c(Br)c(CCCC(C)(O)C)c1Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.287
CB1 binding score: -14.727
InChIKey:BJUFLIWJDCCCKN-UHFFFAOYSA-N
ID: 90109
SMILES:O1c2cc(CCCCC)c(O)c(C3C(C(C)=C)CC4C3(C)CCC(O)C4(C)C)c2OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.973
InChIKey:DGSJXBSWASYYQA-UHFFFAOYSA-N
ID: 90110
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1(OC(=O)CC1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: Not available
InChIKey:WFYZLVGMRKMOIZ-UHFFFAOYSA-N
ID: 90111
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1CCC1C(C)(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -13.775
InChIKey:ZSHVJICQRNMCFK-UHFFFAOYSA-N