ID: 111595
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 111596
SMILES:C(CCCc1cc(OC2(C(C)C)CCC(C)=CC2)cc(CC=C(C)C)c1)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -14.155
InChIKey:VMSMQEQXQSKJFQ-UHFFFAOYSA-N
ID: 111597
SMILES:C1C(C(=C)C)C(c2c(O)c(C(CCCCC)=O)c(OC(C)=O)c(O)c2CCCCC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -13.842
InChIKey:GESICPDQUDDOON-UHFFFAOYSA-N
ID: 111598
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 111599
SMILES:C1CC2C(CCC2(C)O)C(C)(C)Oc2cc(CCCCC)cc(OC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.929
InChIKey:POWBZISBFZHKNV-UHFFFAOYSA-N
ID: 111600
SMILES:C1c2c(O)cc(CCCCCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -17.137
InChIKey:XKRMFBJQQWARFP-UHFFFAOYSA-N
ID: 111601
SMILES:c12c(O)ccc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.988
InChIKey:FDECQIAQAVZRFF-UHFFFAOYSA-N
ID: 111602
SMILES:c12ccc(C3C(C(C)C)CCC(C)=C3)c(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 380.572
CB1 binding score: -14.817
InChIKey:AZMZENHRUJVJKS-UHFFFAOYSA-N
ID: 111603
SMILES:CC1(C)C(O)C(OC(C)=O)CC(C)(CC(CC(C)=CCc2c(O)c(C)cc(OC)c2)O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.572
CB1 binding score: -13.031
InChIKey:WMUKQVXRDIRRJJ-UHFFFAOYSA-N
ID: 111604
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 111605
SMILES:C(=C(C)C(=O)OCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.406
InChIKey:RAUPWVXIVVZJRY-UHFFFAOYSA-N
ID: 111606
SMILES:C(C)(O)(C1=CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.429
InChIKey:SNXISGNZQBXXGZ-UHFFFAOYSA-N
ID: 111607
SMILES:Oc1cc2c(cc1C)OC(CCC=C(C)C)(C)C1C2CC(C)=CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 340.463
CB1 binding score: -16.293
InChIKey:NEJGYNIPDBNYCG-UHFFFAOYSA-N
ID: 111608
SMILES:C1(O)C(O)C(Oc2c(O)c3c(cc2CCCCC)OC(C)(C)C2=C3C(O)C(C)(C)OC2=O)OC(CO)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.59
CB1 binding score: -15.607
InChIKey:MGHKHKQGOXKIHJ-UHFFFAOYSA-N
ID: 111609
SMILES:C1CC(C(C)C)C(c2c(OC)cc(CCCCC)cc2OC)C=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.811
InChIKey:LMRIZMMMXMGMEH-UHFFFAOYSA-N
ID: 111610
SMILES:Brc1c(O)c(C2CCC(C)(C)OO2)c(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 373.287
CB1 binding score: -15.767
InChIKey:PXXAGJTXYLLZQE-UHFFFAOYSA-N
ID: 111611
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 111612
SMILES:c12c(cc(C)c(O)c1O)C(C)C(C)(O)Oc1c(c(O)cc(CCCCC)c1)C2CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -12.865
InChIKey:IQACIZRCXNFKSY-UHFFFAOYSA-N
ID: 111613
SMILES:CCc1cc(O)c(C2CC(C)=CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -15.98
InChIKey:RGPVLURTPUJPPI-UHFFFAOYSA-N
ID: 111614
SMILES:C12C(C)(C)C1CCC(C)=CCc1cc(ccc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.367
InChIKey:MEMJPFTZIWWFPX-UHFFFAOYSA-N
ID: 111615
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N