ID: 35512
SMILES:C12OC(=O)C(=C)C1CC(=O)C(C1(O)C3C(C)(CC1)O2)c1c(O)cc(CCCCC)cc1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.508
CB1 binding score: -14.254
InChIKey:MKYKKIQXHFHFEO-UHFFFAOYSA-N
ID: 35513
SMILES:C(Cl)(CC12c3c(cc(CCOC)cc3O)OC(C)(C)C1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.848
CB1 binding score: -13.842
InChIKey:QATDKVRVQHNZNR-UHFFFAOYSA-N
ID: 35514
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CO)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.94
InChIKey:BGLRGVYNEUIEHF-UHFFFAOYSA-N
ID: 35515
SMILES:C(CCCC)c1cc(O)c2c(c1)C1C(CC=C(C)C)(C3CC1(C)O3)C(=O)C(OC)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.799
InChIKey:QCCDCLQZCLKUEI-UHFFFAOYSA-N
ID: 35516
SMILES:C1(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.347
InChIKey:AITIPLSNMGATGJ-UHFFFAOYSA-N
ID: 35517
SMILES:c12cc(C(C)(CCCCC)O)ccc1C1C(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.84
InChIKey:ZXIVSNHDEAVJHI-UHFFFAOYSA-N
ID: 35518
SMILES:C(C(c1c(OC)c(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -13.712
InChIKey:QMACJMSGNRSPEP-UHFFFAOYSA-N
ID: 35519
SMILES:c1(O)c(C=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 35520
SMILES:C1CC2(C)C3(C(C(C)C)=CC1=O)Oc1c(c(O)c(C(O)=O)c(CCCCC)c1)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -13.064
InChIKey:VHMYAQUEQFABOT-UHFFFAOYSA-N
ID: 35521
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C(=O)OC)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 35522
SMILES:C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.176
InChIKey:BJNNLQNKXZVKFU-UHFFFAOYSA-N
ID: 35523
SMILES:C1C2(CO)C(O2)C2C(C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.605
InChIKey:MJOKTJWJHYESSE-UHFFFAOYSA-N
ID: 35524
SMILES:C1=CC(CCc2c(O)c(C(O)=O)c(CCCCC)cc2O)(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.929
InChIKey:NYMGUABCEPDUEC-UHFFFAOYSA-N
ID: 35525
SMILES:CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 35526
SMILES:C(CCC)CCCc1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(O)CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -15.35
InChIKey:LFTUXYIXPYQHTA-UHFFFAOYSA-N
ID: 35527
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.73
InChIKey:FIPBXVBQTMSTCS-UHFFFAOYSA-N
ID: 35528
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 35529
SMILES:c1(CCCCC)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.709
InChIKey:GNKXZCSHFHZGFY-UHFFFAOYSA-N
ID: 35530
SMILES:C1(Br)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.261
CB1 binding score: -17.061
InChIKey:CINLPKDSTQJRTO-UHFFFAOYSA-N
ID: 35531
SMILES:Cc1c(-c2c(O)cc(CCCCC)cc2O)c(O)c(C2C(C3(C)CO3)(C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -15.058
InChIKey:PWQSMUCRKDKIGZ-UHFFFAOYSA-N
ID: 35532
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N