ID: 107983
SMILES:c12c(C)c(C(OCC(=CCCC(C=C)(OC3C(O)C(O)C(O)C(CO)O3)C)O)C)cc(O)c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 618.764
CB1 binding score: -15.055
InChIKey:WPSXPDWLYIUIPD-UHFFFAOYSA-N
ID: 107984
SMILES:C(C=C(C)CC(O)C=C(C)C)(=O)c1c(O)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.147
InChIKey:TXZBESBMHYJYDO-UHFFFAOYSA-N
ID: 107985
SMILES:Cc1c(O)c2c(c(O)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.969
InChIKey:IFJARJWPOUZGEK-UHFFFAOYSA-N
ID: 107986
SMILES:c12cc(CCCCC)cc(O)c1C1(C(=O)OC)CCCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.967
InChIKey:CZSZPZUGOPGKNY-UHFFFAOYSA-N
ID: 107987
SMILES:O1c2cc(C(O)CCC)cc(O)c2C2C1C(C(C)=C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -10.763
InChIKey:VGZLJKNBSJNWDV-UHFFFAOYSA-N
ID: 107988
SMILES:c1(O)c(C2C(C(C)=C)C(c3ccc(CCCC(C)CCCC(C)CC)cc3OC)C=C(C)C2=O)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.765
CB1 binding score: -12.075
InChIKey:KNRKOMJXRQRKJJ-UHFFFAOYSA-N
ID: 107989
SMILES:C1(C=C)(C)CCC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.735
InChIKey:FMARVNBHFUIUNJ-UHFFFAOYSA-N
ID: 107990
SMILES:C1C2C(C=C(C)C1=O)c1c(cc(CCCCC)cc1O)OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.522
InChIKey:YQWPXJVHKNEKIW-UHFFFAOYSA-N
ID: 107991
SMILES:C1C(C)C(C)(O)C2C(C1)C(=O)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.394
InChIKey:ZYYXZARWHLUELP-UHFFFAOYSA-N
ID: 107992
SMILES:c1(OCC=C(C)C)cc(CCCCC)cc(O)c1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.88
InChIKey:CEUTYJAFXFAGAP-UHFFFAOYSA-N
ID: 107993
SMILES:OC1(C)C2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 107994
SMILES:OC1C(C)(C)Oc2c(c(O)cc(CCCC(O)C)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -15.519
InChIKey:YCGOGFPHQVKKHI-UHFFFAOYSA-N
ID: 107995
SMILES:O=Cc1c(O)c(CC=C(C)C)c(OC)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.156
InChIKey:RSAROWHLZJXNGW-UHFFFAOYSA-N
ID: 107996
SMILES:C(CCCCC)c1cc2c(c(O)c1)C1c3cc(O)c(O)c(CCC(C)C)c3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -17.388
InChIKey:UNPPQYMZNFILLP-UHFFFAOYSA-N
ID: 107997
SMILES:Oc1c(C2C=C(C)CCC2C(C)=C)c(CC=C(C)CCC=C(C)C)c(O)cc1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.794
CB1 binding score: -15.365
InChIKey:JHXDOVMSVKYJJN-UHFFFAOYSA-N
ID: 107998
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: 107999
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 108000
SMILES:COc1c(OC)c(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.494
InChIKey:CPJNIAKLGWEEBP-UHFFFAOYSA-N
ID: 108001
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 108002
SMILES:C12CC(C)C(=O)CC1C(C)(C)Oc1c2c(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: Not available
InChIKey:IQLDROPMMNFAGJ-UHFFFAOYSA-N
ID: 108003
SMILES:O1C2C3C(C)(C)CCCC3(C=O)c3c(O)cc(CCCCC)cc3OC2(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.885
InChIKey:WCZRTPHSRBAVBT-UHFFFAOYSA-N