ID: 59095
SMILES:C(CCCCC(C)(C(O)CC)C)(=O)CC12c3cc(O)c(C)cc3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.421
InChIKey:LMRAWHZQLLOZFE-UHFFFAOYSA-N
ID: 59096
SMILES:c1c(SCC(C)C)ccc2c1OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.509
CB1 binding score: -15.111
InChIKey:UMZZITOEFCUIIO-UHFFFAOYSA-N
ID: 59097
SMILES:C(C1C(c2c(O)cc(CCCCC)cc2)C=C(C)C(=O)C1)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -11.804
InChIKey:DANGEJMWEMHGHW-UHFFFAOYSA-N
ID: 59098
SMILES:C1(=O)C(=O)C(c2cccc(O)c2)=CC2(C1O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.504
CB1 binding score: -14.519
InChIKey:SJGSXPTZPZDJOA-UHFFFAOYSA-N
ID: 59099
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: 59100
SMILES:COc1cc(CC)cc(O)c1CC=C(C)CCC=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.374
InChIKey:HNGDIUYOBPAZOE-UHFFFAOYSA-N
ID: 59101
SMILES:C(=C)(C)C1CCC(c2c(O)ccc(CCCCC)c2)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.415
InChIKey:IDCWWMMNJXWYLT-UHFFFAOYSA-N
ID: 59102
SMILES:C1CC2(C)Oc3c(c(O)cc(C(C)C(C)CCCC)c3)CC2C(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.592
InChIKey:BNQDDBLKICXAIS-UHFFFAOYSA-N
ID: 59103
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC(C)C)=O)c(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.8
InChIKey:GWQVEWAKZKUXSD-UHFFFAOYSA-N
ID: 59104
SMILES:Oc1ccc(CC)c2c1C1C3C(C)(CCC1C(C)(C)O2)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.131
InChIKey:FKQCNCCCFJSJPB-UHFFFAOYSA-N
ID: 59105
SMILES:C1=C(CO)CC2C(C1)C(C)(C)Oc1cc(C)c(C(=O)OC)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.591
InChIKey:ZZHMPZIAIFZLJB-UHFFFAOYSA-N
ID: 59106
SMILES:C1=CC(C)(CCC=C(C)C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 59107
SMILES:OC(C(CC(C(=C)C)O)=O)c1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -13.931
InChIKey:JEDVPCCKUBQNFR-UHFFFAOYSA-N
ID: 59108
SMILES:Oc1cc(CCCCC)cc(O)c1OCC=C(C)CCC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.13
InChIKey:MGLOVYXDFFQVSF-UHFFFAOYSA-N
ID: 59109
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -15.321
InChIKey:CGLMWLPBSBUKNN-UHFFFAOYSA-N
ID: 59110
SMILES:c1(C(O)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.693
InChIKey:FGYKLYWJNZCCPG-UHFFFAOYSA-N
ID: 59111
SMILES:CC12CCC(C(=C)C)C1(O)Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.495
InChIKey:CSOGBIOBIBLRDO-UHFFFAOYSA-N
ID: 59112
SMILES:O=C(C(C)=CCCC(C)=CCCC1=CC(c2c(O)cccc2)C(C(=C)C)CC1)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.466
InChIKey:ORLGXLQWHCKGPH-UHFFFAOYSA-N
ID: 59113
SMILES:C12C(C)(C)CCCC1(O)Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.709
InChIKey:NFCUWNNNJCCTJG-UHFFFAOYSA-N
ID: 59114
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(c1ccccc1)CC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.177
InChIKey:YMSSULAYWCPNRU-UHFFFAOYSA-N
ID: 59115
SMILES:C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.277
InChIKey:OQDNQLJJUBYHIW-UHFFFAOYSA-N