ID: 116047
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 116048
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 116049
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 116050
SMILES:C1CC(CO)=CC2C1C(C)(C)Oc1c2c(O)ccc1CCC(C(CCC(O)C(C)(C)O)=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -15.929
InChIKey:SMCZZZTVELIBPB-UHFFFAOYSA-N
ID: 116051
SMILES:C(C)CCc1cc(OC)c(O)c2c1C=CC(C)(CCC=C(CCC=C(C)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.72
InChIKey:RRTIVLQGEAFABE-UHFFFAOYSA-N
ID: 116052
SMILES:c1(CCCCC)c(C(=O)O)cc2c(c1)OC(C)(C)C1CC(=O)C(C)(O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.334
InChIKey:MUFQWXOHXRIKFJ-UHFFFAOYSA-N
ID: 116053
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 116054
SMILES:C(CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)c(C)c1-2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 450.707
CB1 binding score: -16.252
InChIKey:UHJPJASMVDPOKF-UHFFFAOYSA-N
ID: 116055
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 116056
SMILES:C(C)(C1OC(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1)=CC=CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.141
InChIKey:VDJADMQPZWYVBG-UHFFFAOYSA-N
ID: 116057
SMILES:C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -19.319
InChIKey:VNFNICPIQJPBJY-UHFFFAOYSA-N
ID: 116058
SMILES:O1c2c(c(O)cc(C)c2)C(CC(C)(C)O)C1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.092
InChIKey:VVYIBANJGOHZNC-UHFFFAOYSA-N
ID: 116059
SMILES:C(=O)(O)c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.51
InChIKey:ONTMVGJDPXZQKB-UHFFFAOYSA-N
ID: 116060
SMILES:Brc1cc(O)cc(C)c1C1C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 321.258
CB1 binding score: -15.929
InChIKey:RYSRHKYRAMSJTA-UHFFFAOYSA-N
ID: 116061
SMILES:C(=C(C)C)C1Oc2cc(CCCCC)cc(OC)c2C2C(CCC(=C)C2)C1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.834
InChIKey:AZMKMOKPRKKALB-UHFFFAOYSA-N
ID: 116062
SMILES:C12C(C(C)(C)Oc3cc(OC)ccc31)C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -15.93
InChIKey:RORWBENKGWPVCF-UHFFFAOYSA-N
ID: 116063
SMILES:c1(CC=C(CCC=C(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: 116064
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)ccc(CCCCC)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.367
InChIKey:ARCCJNTVTZPGNU-UHFFFAOYSA-N
ID: 116065
SMILES:C1(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.052
InChIKey:FYKJMOKWBFTTAU-UHFFFAOYSA-N
ID: 116066
SMILES:C12C(CC(C)=CC1)c1c(O)cc(C)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 116067
SMILES:C(C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.304
InChIKey:MLCYRUTXUZZKHD-UHFFFAOYSA-N