ID: 28036
SMILES:C1=C(C)CC2c3c(O)cc(CCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 28037
SMILES:c1(O)cc(CCCCC)c2c3c1C1C(C(CCC=C(C)C)(C)O2)CCC(C)(CC1OC(=O)C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.804
InChIKey:BHKDVVGFEKJJTB-UHFFFAOYSA-N
ID: 28038
SMILES:C(=C(C)C)CCC1(C)C=CCC2(C)Oc3cc(C)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.217
InChIKey:BYVCIQGJKBEMFS-UHFFFAOYSA-N
ID: 28039
SMILES:C(OC(C)=O)C(CC(=O)C=C(C)C)=CCc1c(O)cc(CC(OC(C)=O)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -14.625
InChIKey:XHRUZIAHVPEKDO-UHFFFAOYSA-N
ID: 28040
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC1(C)CCC=C(C)C1C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -13.522
InChIKey:XQPITGRJFQXEMM-UHFFFAOYSA-N
ID: 28041
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 28042
SMILES:c1(CCCC)cc(O)c2c(c1O)OC(C)(C)C1C2(O)C(=O)C(C)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.319
InChIKey:XXELYZJJIUGXKS-UHFFFAOYSA-N
ID: 28043
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C=CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.32
InChIKey:WWYMYGIVLCKTBL-UHFFFAOYSA-N
ID: 28044
SMILES:C(COS(C)(=O)=O)C1C(C(=COC(=O)C)C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.531
CB1 binding score: -14.463
InChIKey:SNALFMQYKHKPOS-UHFFFAOYSA-N
ID: 28045
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C2C(O)C(C)(C)C2(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.834
InChIKey:IOXJBOOOUZSZDF-UHFFFAOYSA-N
ID: 28046
SMILES:C(Cc1c(O)c2c(c(C(=O)C(C)CC)c1O)OC(C)(C)C1C2CC(C)=CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.04
InChIKey:RKDYUXLPFBSMMC-UHFFFAOYSA-N
ID: 28047
SMILES:C1C(O)C2C(C=C(C(O)=O)C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.55
InChIKey:HEVRLLBSQWSLCO-UHFFFAOYSA-N
ID: 28048
SMILES:c12c(O)cc(CCCCC)cc1OC1CC(C)CCC1C=C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.047
InChIKey:WDWFNWMZDSVKIX-UHFFFAOYSA-N
ID: 28049
SMILES:C(c1c2c(c(C)cc1O)C(O)C(C(=C)C)CC2)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.294
InChIKey:QDFTZLOPDRFKIO-UHFFFAOYSA-N
ID: 28050
SMILES:C(CC)Cc1cc(O)c2c(c1)OC1(C)C(C2)CC(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.323
InChIKey:CTQQBMKGHRPHBA-UHFFFAOYSA-N
ID: 28051
SMILES:c1(O)c(C=O)c(CCCCC)cc2c1C1=C(C(C)(C)OC(C)(C)C=C1)CC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.58
InChIKey:SFTFHJPGDWMYAL-UHFFFAOYSA-N
ID: 28052
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 28053
SMILES:C1(CCC(=O)C)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.879
InChIKey:ULHPTRZDNVHYLO-UHFFFAOYSA-N
ID: 28054
SMILES:O1C2C(O)(c3c(cc(CCCCC)cc3O)OC2C=C(C)C)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.857
InChIKey:WFCJXKKTADKJEX-UHFFFAOYSA-N
ID: 28055
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)(O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.1
InChIKey:TXGFTFSVQKYNOL-UHFFFAOYSA-N
ID: 28056
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N