ID: 55021
SMILES:C(OC(=O)C(=CCO)COC(=O)C)c1c2c(c(OC)c(OCO)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.549
CB1 binding score: -14.601
InChIKey:PIYOUVOMOVMWHP-UHFFFAOYSA-N
ID: 55022
SMILES:C1(CO)OC(OC2=C(C)C3C(C2O)c2c(cc(CCCCC)cc2O)OC(C)(C)C3CCC(C)=CCO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.753
CB1 binding score: -13.434
InChIKey:BXNCFQZBNIVKRA-UHFFFAOYSA-N
ID: 55023
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)ccc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.88
InChIKey:QPJZATIMFVDWEL-UHFFFAOYSA-N
ID: 55024
SMILES:C1C(C)C(O)CC(C(C)=C)C2c3c(O)cc(CCCCC)cc3OC(C)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.259
InChIKey:JTXIGYSXXPDMEC-UHFFFAOYSA-N
ID: 55025
SMILES:c1(OC(=O)C(=CC)C)cc2c(cc1C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.341
InChIKey:PMSZYWPLBFGSLY-UHFFFAOYSA-N
ID: 55026
SMILES:C1(C)=CC2=C(C(C)(C)Oc3cc(CCCCCC)cc4c3OC1C(=O)O4)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -12.344
InChIKey:IZCFSADMEFAZIQ-UHFFFAOYSA-N
ID: 55027
SMILES:C(=C)(C)C1C(c2cc(CCCC)c(O)c(C=O)c2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.334
InChIKey:ORICFQLUWIHNDH-UHFFFAOYSA-N
ID: 55028
SMILES:C(=O)(OC1=CC(C)CCC2C(C)(C)c3c(O)cc(CCC)cc3OC12)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.944
InChIKey:AVTGNBFVGYUTSB-UHFFFAOYSA-N
ID: 55029
SMILES:CC1(C)CC(c2cc(O)cc(CCCCC)c2)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -15.261
InChIKey:CZCZABTWDNQFOX-UHFFFAOYSA-N
ID: 55030
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 55031
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(OC)=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:SZHQBBUREXLHOC-UHFFFAOYSA-N
ID: 55032
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)O2)CC(C(C)=C)C(CCC(=O)C)C1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.641
InChIKey:DPGWCNYTMYMOME-UHFFFAOYSA-N
ID: 55033
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 55034
SMILES:C12c3c(cc(CCCC)cc3OC)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.779
InChIKey:VXMYRUJLTHSFQU-UHFFFAOYSA-N
ID: 55035
SMILES:OC(C1=CC2C(CC1)c1c(O)cc(CCCC)cc1OC2(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -12.015
InChIKey:NBJJSZZOHIAOSQ-UHFFFAOYSA-N
ID: 55036
SMILES:C1(C(C)C)C(OC(=NC=CC)O)C2C(C)(Oc3c2c(OC)cc(CCCCC)c3)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 415.574
CB1 binding score: -13.822
InChIKey:NXXRGVVTXFCRPJ-UHFFFAOYSA-N
ID: 55037
SMILES:C123Oc4ccc(c(O)c4)CC4=CC(C(C(O)CC=C(C)C)=CC1)C2(C(C)(C)C4)C=C(O)C(=O)C3=C(C(=O)OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.66
CB1 binding score: -14.779
InChIKey:DSFDBVQUJZMIKK-UHFFFAOYSA-N
ID: 55038
SMILES:c12c(O)ccc(CCCCC)c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.761
InChIKey:PBZDDVXDWXNWKR-UHFFFAOYSA-N
ID: 55039
SMILES:C1C(C(OC)=O)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 55040
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 55041
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -18.844
InChIKey:PWPQLXXOFXROSJ-UHFFFAOYSA-N