ID: 82678
SMILES:CCCC(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.406
InChIKey:OWSMHBVUMAAGNV-UHFFFAOYSA-N
ID: 82679
SMILES:CC(C12Oc3c(c(O)cc(CCCCC)c3)C1C1C(CCC2C)C(C)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.615
InChIKey:RXWUKRBUMALYIM-UHFFFAOYSA-N
ID: 82680
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(O)c3)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -12.39
InChIKey:DSRVQVVPQKXHRR-UHFFFAOYSA-N
ID: 82681
SMILES:CCCCC(OC)c1cc(O)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.109
InChIKey:LFZPVCWKBLHHRO-UHFFFAOYSA-N
ID: 82682
SMILES:C(CCC(C)=CCc1c(OC)cc(CCCCC)cc1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 82683
SMILES:CC(=C)C1CC=C(Cc2c(O)c(C(=O)CC(C)C)ccc2C)C2=C1OCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -14.087
InChIKey:YPRKIVTVWVSRAR-UHFFFAOYSA-N
ID: 82684
SMILES:CC(=CCCC(=CCCC1(C)Oc2c(O)cc(CCCCC)c(O)c2C=C1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -19.761
InChIKey:YFHSUGXCKGOGEF-UHFFFAOYSA-N
ID: 82685
SMILES:C12(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.914
InChIKey:ITIITIMIQXWTSA-UHFFFAOYSA-N
ID: 82686
SMILES:c12c(c(=O)cc(CCCCC)cc1O)OC(C)(C)C1CCC(CCC1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -0.928
InChIKey:QXCVBVYDKLJSSX-UHFFFAOYSA-N
ID: 82687
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 82688
SMILES:c12cc(CCCCC)cc(OC(=O)C)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.735
InChIKey:YMITWMHEPLYRRH-UHFFFAOYSA-N
ID: 82689
SMILES:c1(-c2c(O)c3c(cc2CCCC)OC(C)(C)C2C3C=C(C)CC2)c(O)c2c(=O)[nH]cc-2c(O)c(CC=C(C(C)CC=C(C)C)C(=O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 655.832
CB1 binding score: -18.346
InChIKey:ZMSFSEZWNVTYDA-UHFFFAOYSA-N
ID: 82690
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 82691
SMILES:C1(C)(C)C(N=C=O)C(C)(CC=C(C)C)CC2c3c(cc(CCCCC)cc3OC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.614
CB1 binding score: -15.509
InChIKey:NRZJXUCHVMDRKM-UHFFFAOYSA-N
ID: 82692
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(C)cc1OC(CCCCCCCCCCCCCCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.776
CB1 binding score: -14.703
InChIKey:WSNHWNKSTDTCFW-UHFFFAOYSA-N
ID: 82693
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 82694
SMILES:C1CC(CO)(C)Oc2c1cc(CCCCC)cc2C1CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -11.635
InChIKey:WAAZCSVUHFPEPE-UHFFFAOYSA-N
ID: 82695
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 82696
SMILES:Oc1c(C(=O)C(C)CC)c2c(c(OC)c1)C1C(C(C)(C)O2)CC=C(C)C1OC(=O)CCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.649
CB1 binding score: -15.562
InChIKey:XVUAABAIEZXVQG-UHFFFAOYSA-N
ID: 82697
SMILES:c1cc(C2C=C(C)CCC2C(=C)C)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 82698
SMILES:C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C2CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.798
InChIKey:AEPPHBSWXBSOSJ-UHFFFAOYSA-N