ID: 119848
SMILES:Oc1cc(CCCCC)cc2c1-c1c(cc(CCCCC)cc1O)OC2C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.229
InChIKey:ZHBILBTVWNPLDK-UHFFFAOYSA-N
ID: 119849
SMILES:C(CCCC)c1cc(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: 119850
SMILES:C12C(OC(CC=C(C(OC)=O)C)=O)C(C(C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -13.933
InChIKey:PBJQZPRHJIPCSX-UHFFFAOYSA-N
ID: 119851
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2C1CCC1CCCC(C)C21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.668
InChIKey:ONIYRFWCPRDQLH-UHFFFAOYSA-N
ID: 119852
SMILES:C(C=C(CCC=C(CC(C=C(C)C)=O)C)C)c1c2c(cc(CCc3ccccc3)c1)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.708
CB1 binding score: -15.519
InChIKey:XHGDNEDUGSRAED-UHFFFAOYSA-N
ID: 119853
SMILES:C1(O)CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.029
InChIKey:CXKHPDJDJARQCW-UHFFFAOYSA-N
ID: 119854
SMILES:C12c3c(O)cc(CCC)cc3OC1(C)CCC(Br)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.3
CB1 binding score: -16.879
InChIKey:PUEJCYXWCHOWRM-UHFFFAOYSA-N
ID: 119855
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -11.551
InChIKey:AWMBIAKLZCCPQS-UHFFFAOYSA-N
ID: 119856
SMILES:CC(C(C(C12Oc3c(c(OC)cc(CCC(CC)C)c3)C1C=C(C)C2)O)O)(C)OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.865
InChIKey:UIHSZIZHJYTOTA-UHFFFAOYSA-N
ID: 119857
SMILES:C(C)(C1C2C(C(C)CC1)Cc1c(O)cc(CCCCC)cc1O2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.511
InChIKey:CNHGVQVUFBLPJX-UHFFFAOYSA-N
ID: 119858
SMILES:C(=C(C)C)CCC(=C)C1Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.011
InChIKey:WDFKQMLGWSHNHC-UHFFFAOYSA-N
ID: 119859
SMILES:C=C(C)C1C(c2cc(O)c(CCCCC)cc2OC)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.154
InChIKey:ZDKMUWVUDSFWAM-UHFFFAOYSA-N
ID: 119860
SMILES:C1C(C(C)(C)O)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 119861
SMILES:CC(C)=CCC(=O)OC(C)(C)C=Cc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.596
InChIKey:MAUYPHVOSJYRKF-UHFFFAOYSA-N
ID: 119862
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)cc(CCC(=O)O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.143
InChIKey:QEKVOXFOINRURS-UHFFFAOYSA-N
ID: 119863
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C(C(=C)C)CCC(C)=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.084
InChIKey:IVFRITIMKMEXDZ-UHFFFAOYSA-N
ID: 119864
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.915
InChIKey:QGXPGVCOVFFYDF-UHFFFAOYSA-N
ID: 119865
SMILES:C12c3c(cc(O)cc3O)OC(C)(C)C1CCC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.284
InChIKey:JIQMEMDNHUCIPK-UHFFFAOYSA-N
ID: 119866
SMILES:CC1C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -14.06
InChIKey:NQWPKCXPZYJKBH-UHFFFAOYSA-N
ID: 119867
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2)CC1(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -10.331
InChIKey:ZBRORPFHESTVBA-UHFFFAOYSA-N
ID: 119868
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.18
InChIKey:YPSZDRXOKFCOHL-UHFFFAOYSA-N