ID: 82048
SMILES:CC(=CCCC1(C)Oc2c(O)cc(CCCCC)cc2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.028
InChIKey:BNDLCGBREIIGHD-UHFFFAOYSA-N
ID: 82049
SMILES:C1C2C(C(C(C)=CCC=C(C)C)C1)c1c(O)c(C(=O)O)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.721
InChIKey:GXBFINNRBDSKAN-UHFFFAOYSA-N
ID: 82050
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(O)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.929
InChIKey:JZUJUSHBDRAJAV-UHFFFAOYSA-N
ID: 82051
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.172
InChIKey:RNJORKPXURBQCV-UHFFFAOYSA-N
ID: 82052
SMILES:C(C=C(C)C)C1(O)c2c(cc(CCC)cc2O)OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 372.549
CB1 binding score: -14.737
InChIKey:DZZSWYQEZLDGGV-UHFFFAOYSA-N
ID: 82053
SMILES:C1=C(C)COc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -17.881
InChIKey:HZTBOQLZTCDDEK-UHFFFAOYSA-N
ID: 82054
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)(O)C2OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.713
InChIKey:JGIGFQOJOHJUHS-UHFFFAOYSA-N
ID: 82055
SMILES:C1(CCC=C(C)CCC=C(C)C)(C)Oc2c(O)c(C(=O)CC(C)=O)c(O)c(CCc3ccccc3)c2CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -14.966
InChIKey:GJDUVQWYYVHNTB-UHFFFAOYSA-N
ID: 82056
SMILES:CC(CCC=C(C)C)=CCc1cc(OC)cc(CCCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -15.176
InChIKey:OWKMGMJNKSKNDA-UHFFFAOYSA-N
ID: 82057
SMILES:c1(CCCCC)cc2c(cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.041
InChIKey:UMOQSYCBNIIJKH-UHFFFAOYSA-N
ID: 82058
SMILES:O=C(OC(C(=O)c1c(O)c(CC2C(C(O)(C)C)CCC(C)=C2)cc(O)c1)CC(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.902
InChIKey:MAZUWJRQLYBFNI-UHFFFAOYSA-N
ID: 82059
SMILES:C1(C)C2C(c3c(O)c(C(=O)CCCC)c(CCCCC)cc3O1)OC(C)(C)C2C1OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.929
InChIKey:IKZUHOHHZQEGAX-UHFFFAOYSA-N
ID: 82060
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)C3CC213
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.94
InChIKey:ZLZPHEOEWUPBLK-UHFFFAOYSA-N
ID: 82061
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=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: 82062
SMILES:OC1=C(C(c2cc(OC)c(O)cc2)CC(OC)=O)C(=O)CC(C)C12CC(C(C)=C)C(c1cc(CCCCC)cc(O)c1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.729
CB1 binding score: -13.658
InChIKey:UERSUJKWJNYJAT-UHFFFAOYSA-N
ID: 82063
SMILES:c1(CCc2cc(O)cc(OS(O)(=O)=O)c2)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 460.548
CB1 binding score: -15.116
InChIKey:YABYQZJMIRVMMN-UHFFFAOYSA-N
ID: 82064
SMILES:CC1(CC(=O)C=C(C)C)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.403
InChIKey:BXLVLFAKMSWSGH-UHFFFAOYSA-N
ID: 82065
SMILES:C12C3C(c4c(O)cc(CCCCC)cc4OC1C=C(C)C)CC(C)=CC3O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.325
InChIKey:YRIXBDGZJXBTFB-UHFFFAOYSA-N
ID: 82066
SMILES:C1CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 82067
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC(C)=O)cc(CCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.883
InChIKey:LYNQMKDHYAOJHU-UHFFFAOYSA-N
ID: 82068
SMILES:C(CC)CCc1cc(O)c(CC2C(C)=CCCC2(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.334
InChIKey:VDPDPHQVGIIDIH-UHFFFAOYSA-N