ID: 103048
SMILES:C1C(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.187
InChIKey:QHPAAFINTQBRPR-UHFFFAOYSA-N
ID: 103049
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.026
InChIKey:PHDAGVYHJUBPHF-UHFFFAOYSA-N
ID: 103050
SMILES:c1c2c(cc(CCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.091
InChIKey:GKCVWOXWDDJCJT-UHFFFAOYSA-N
ID: 103051
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 103052
SMILES:C1C(C)C2C(O)(C1Cl)c1c(c(C(=O)O)c(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.911
CB1 binding score: -17.07
InChIKey:LUBXCRIZWKTRCG-UHFFFAOYSA-N
ID: 103053
SMILES:C=C(C)C1c2c(c(O)cc(CCCCC)c2)C(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.429
InChIKey:OGEFKICWTSGNBP-UHFFFAOYSA-N
ID: 103054
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(C)c1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 316.485
CB1 binding score: -16.438
InChIKey:KMRPQMLMMIZNHY-UHFFFAOYSA-N
ID: 103055
SMILES:CC(=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)OCC(C)O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -17.605
InChIKey:LQRLVPSVEWIUNR-UHFFFAOYSA-N
ID: 103056
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 103057
SMILES:Oc1c(C(C=CC(C)(O)C)=O)c(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -16.751
InChIKey:VHJZCVJPKAUPJX-UHFFFAOYSA-N
ID: 103058
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 103059
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C(CCC(=C)C3CC21)C(C)(O)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.484
InChIKey:JURGUXSLICUVCG-UHFFFAOYSA-N
ID: 103060
SMILES:O=C(OCC(C)C1CCC2=C1c1c(O)c(C(=O)O)c(CCCCC)cc1OC2(C)C)CCCCCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.73
CB1 binding score: -15.235
InChIKey:RGYBESMRKSNFBJ-UHFFFAOYSA-N
ID: 103061
SMILES:C(CC)CCc1cc2c(c(O)c1)CC1C(CC=CC(O)(C)CO)(C)C(CCC(=C)C)(CC2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.443
InChIKey:GKIIJJNJRUEHME-UHFFFAOYSA-N
ID: 103062
SMILES:C(C)c1cc(C2C=C(C)CCC2C(CC(C)(C=C(C)C)O)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.691
InChIKey:XUTYLOYPHMOJSM-UHFFFAOYSA-N
ID: 103063
SMILES:C(=CCCC1(C)C=Cc2c(cc(O)cc2C)O1)(C)OC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.368
InChIKey:JHIPHYPXBNMGTE-UHFFFAOYSA-N
ID: 103064
SMILES:Cc1c(C2=CC(=O)C3CC2(C)C3(C)C)c2c(c(C(=O)CC)n1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 447.619
CB1 binding score: -12.506
InChIKey:VGETZQPWJTXCKN-UHFFFAOYSA-N
ID: 103065
SMILES:OC1C(c2c(OC)cc(O)cc2CO)C(C(C)(C)O)C(c2cc(CCCCC)ccc2OC)C=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -15.232
InChIKey:ISUSICAWJWUUPC-UHFFFAOYSA-N
ID: 103066
SMILES:C(CCC)Cc1cc(C(=O)O)c(O)c2c1C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.388
InChIKey:BKFOUNOCVOQIBB-UHFFFAOYSA-N
ID: 103067
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 103068
SMILES:C(C)(=CCCC(C)(OC)C1Oc2c(c(O)cc(CCC)c2)C1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.566
InChIKey:KFAZRKZNGRIOOE-UHFFFAOYSA-N