ID: 54454
SMILES:C1(C)CCCC(C)(O)C2C1c1c(ccc(C)c1)Oc1cc(CCCC)cc(OC)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -13.353
InChIKey:QUUMSGHUSAJMCH-UHFFFAOYSA-N
ID: 54455
SMILES:c1c2c(cc(CCCCC)c1)OC(C=C(CCC=C(C)C)C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -16.191
InChIKey:BWKZVBGLXBMBJP-UHFFFAOYSA-N
ID: 54456
SMILES:CC(O)(C)C1Oc2c(c(O)cc(CCCCC)c2)C2=C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.571
InChIKey:DEYCYHOKZQYPOD-UHFFFAOYSA-N
ID: 54457
SMILES:c12c3cccc1C=C(C)C(=O)OC31c3c(cc(CCC)cc3O)OC1(C)C=CC=C(C)CCC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.661
CB1 binding score: -16.108
InChIKey:OJHMVNBOVZTRBM-UHFFFAOYSA-N
ID: 54458
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 54459
SMILES:C1C=C(C)C2C1C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 334.459
CB1 binding score: -15.519
InChIKey:MSDSBDHUXSZUOZ-UHFFFAOYSA-N
ID: 54460
SMILES:C1(O)C(O)C(CO)OC(Oc2cc(CCCCC)ccc2O)C1C=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.6
CB1 binding score: -15.048
InChIKey:CERTVMUUKVNFMG-UHFFFAOYSA-N
ID: 54461
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 54462
SMILES:CC1(C)C2CC3c4c(cc(CCCCC)cc4O2)OC3(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.358
InChIKey:CYJDSKXYCYYZDM-UHFFFAOYSA-N
ID: 54463
SMILES:C1(C)COc2c3c(c4c(c21)OC(C)C4)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.818
InChIKey:UCGHSGBIMADIMA-UHFFFAOYSA-N
ID: 54464
SMILES:c1(-c2c(O)ccc(CCCCCC)c2)cc(OC)c2c(c1C)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.224
InChIKey:GGERCJGHZSSJGS-UHFFFAOYSA-N
ID: 54465
SMILES:C1(C)(C)CC2CC3c4c(O)cc(CCC)cc4OC(CO)(C)C(C1)C23O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.419
InChIKey:CNJKKJYGABDBGY-UHFFFAOYSA-N
ID: 54466
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)C2C(C)(CCCC1(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -13.213
InChIKey:OEBCLDDGOXMJCB-UHFFFAOYSA-N
ID: 54467
SMILES:C12=C(C)CCC13C(C)(C)Oc1cc(O)cc(CCCCC)c1C3O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.306
InChIKey:BDVKRODFDMCOEX-UHFFFAOYSA-N
ID: 54468
SMILES:OC(C(C)(C)C)c1ccc2c(c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -15.333
InChIKey:DLDRCALXDPVNCX-UHFFFAOYSA-N
ID: 54469
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(CCC2C(C)=C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.173
InChIKey:UWZJPFCMJVTNGF-UHFFFAOYSA-N
ID: 54470
SMILES:COc1c(OC)c(OC)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.845
InChIKey:LWHOBTZJTMADDM-UHFFFAOYSA-N
ID: 54471
SMILES:O1c2cc(O)cc(CCCCC)c2C(=O)C1(C)CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.489
InChIKey:HUVFMCAJCTUSNC-UHFFFAOYSA-N
ID: 54472
SMILES:C1(C)(C)C2CC=C(C(O)=O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 54473
SMILES:c1(OC)c(CCCCC)c(O)c2c(c1)OC(C)(C)C1C2CC(C(O)=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.273
InChIKey:MBGOFRIHTATCDQ-UHFFFAOYSA-N
ID: 54474
SMILES:C12(C)CC3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C1CCC(C)=CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.509
InChIKey:UYZNEKJLQJWGJL-UHFFFAOYSA-N