ID: 99625
SMILES:c1(C=O)cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.585
InChIKey:HKFMNUCHLQNLNK-UHFFFAOYSA-N
ID: 99626
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.54
CB1 binding score: -15.929
InChIKey:ZWBOAXKUDUARGC-UHFFFAOYSA-N
ID: 99627
SMILES:Oc1c(CC2C(C)(C)CCCC2=C)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.64
InChIKey:PYJVJTGZDHTTFZ-UHFFFAOYSA-N
ID: 99628
SMILES:C(CC)CCCCCCCCC(OCc1cc(OC)c2c(c1C=O)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -15.933
InChIKey:CHHCHUFHYJOARW-UHFFFAOYSA-N
ID: 99629
SMILES:C(CC(O)(C)C=CC1C(C)(C)O1)CC(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.976
InChIKey:NYJVXKXCXSBTDR-UHFFFAOYSA-N
ID: 99630
SMILES:C1(C)(C)C2C3C(C(=O)OC3CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.655
InChIKey:YRZRKXKRAFJISF-UHFFFAOYSA-N
ID: 99631
SMILES:C1c2c(c(O)cc(C)c2C)C2C(C1)C(C)(CC=CC(O)(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.597
InChIKey:OYZSRPSULQENMP-UHFFFAOYSA-N
ID: 99632
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 99633
SMILES:CC1(C)Oc2cc(O)c(Br)cc2C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -18.662
InChIKey:OLWQGBDFFXCSTJ-UHFFFAOYSA-N
ID: 99634
SMILES:C(C)(CCC=C(C)C)=CCCC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 99635
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 99636
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)OC)(O2)CC(C)(O)O1)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.552
InChIKey:HKTODKIBJMJLNV-UHFFFAOYSA-N
ID: 99637
SMILES:COc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.06
InChIKey:KSDSETBZUIJIFF-UHFFFAOYSA-N
ID: 99638
SMILES:c1(O)c(CC(CC=C(CCCC(C)(C)O)C)C)c(O)c2c(ccc3c2CC(O)C(C)(C)O3)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.646
InChIKey:OKRQQNMVMVAFFO-UHFFFAOYSA-N
ID: 99639
SMILES:CCCCCc1ccc2c(c1)OC(C)(C)C1=C2C(C)CC(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.339
InChIKey:DBQWYJCESFSXAK-UHFFFAOYSA-N
ID: 99640
SMILES:C12CC(C(=O)O)(c3c(cc(CCCCC)cc3O)O1)CCC13C(C(C)C)C(C(O)C1(C)O3)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -12.998
InChIKey:IKOQEFAMMNNHRU-UHFFFAOYSA-N
ID: 99641
SMILES:COc1cc(CCc2ccccc2O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.499
InChIKey:UYMSVVOGZFHKEA-UHFFFAOYSA-N
ID: 99642
SMILES:C(C)CCOc1c2c(cc(C)c1)OC13[CH]C(=O)C(C)=C(O)C1(O2)C=C(C)C(OC(=O)C)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.5
CB1 binding score: -13.196
InChIKey:QRRQFVGUDKWMCO-UHFFFAOYSA-N
ID: 99643
SMILES:C1(C)(C)C2C(C)(CCC1)C(CCl)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.903
CB1 binding score: -13.833
InChIKey:SHOLYSUTMXUBRB-UHFFFAOYSA-N
ID: 99644
SMILES:CC(CCc1c(OC(=O)C)c(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -15.948
InChIKey:XSBPTTBFGPYOIF-UHFFFAOYSA-N
ID: 99645
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N