ID: 86248
SMILES:C1(O)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2ccccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.458
InChIKey:HRHDYSXRSKTKHB-UHFFFAOYSA-N
ID: 86249
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.201
InChIKey:WRDOPLLDCBRWNW-UHFFFAOYSA-N
ID: 86250
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 86251
SMILES:C(CCCC)c1cc(O)c2c(c1)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: 86252
SMILES:C(Cc1c(O)cc(CCCCC)c2c1OC(C)(C)C1C2C(O)C(O)(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.152
InChIKey:CCDRYHOIZUBATB-UHFFFAOYSA-N
ID: 86253
SMILES:C(C1CCCCC1)Oc1c(CCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.937
InChIKey:PXAJGJVATKQSRD-UHFFFAOYSA-N
ID: 86254
SMILES:O1c2ccc(CCCC)cc2C2C(CC=C2C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -14.2
InChIKey:GVGYXUVIGAFCAA-UHFFFAOYSA-N
ID: 86255
SMILES:C1=C(C)C2C(CC1=O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.658
InChIKey:KMXSNTBBYBFMDO-UHFFFAOYSA-N
ID: 86256
SMILES:C1(=O)CC2CC3(c4c(cc(CCCCC)cc4O)OC1(C)O3)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.283
InChIKey:NGQWBROMXCWUNU-UHFFFAOYSA-N
ID: 86257
SMILES:C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 86258
SMILES:C(CCC)Cc1cc(O)c(C2C=C(CO)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.742
InChIKey:VNRLFKGINFBEHO-UHFFFAOYSA-N
ID: 86259
SMILES:C1(CO)(C)C2COc3cc(CCCCC)cc(O)c3C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.199
InChIKey:AUELSYFPMXGOGA-UHFFFAOYSA-N
ID: 86260
SMILES:C1c2c(O)cc(CCC)cc2OC(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -18.491
InChIKey:VKJOEJPIVLHXOA-UHFFFAOYSA-N
ID: 86261
SMILES:C1(CCC=C(C)CCC2C(C)(C)O2)(C)C=Cc2cc(OC(=O)C)ccc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.923
InChIKey:RQMBMBYFXBAIJN-UHFFFAOYSA-N
ID: 86262
SMILES:c1c(C)coc1COc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -12.246
InChIKey:ULKDNFXRWUHDPF-UHFFFAOYSA-N
ID: 86263
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 86264
SMILES:CC(COC(=O)c1ccccc1C(OC(=O)C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC1C(c1ccccc1)CC)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 586.725
CB1 binding score: -15.411
InChIKey:ZEVMKRDMMINMOL-UHFFFAOYSA-N
ID: 86265
SMILES:Cc1c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -17.158
InChIKey:CYULBMVQWHGPFO-UHFFFAOYSA-N
ID: 86266
SMILES:C12C(C)=CC(=O)C1C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 258.317
CB1 binding score: -17.845
InChIKey:APMZEHFDKFCTLW-UHFFFAOYSA-N
ID: 86267
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 86268
SMILES:C1=C(C)C(=NOC(C)=O)CC2C(C)(C)Oc3c(c(O)c(Cl)c(C)c3Cl)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.286
CB1 binding score: -14.256
InChIKey:RAIXCQRZCOPHAB-UHFFFAOYSA-N