ID: 90154
SMILES:C(C)(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C#CCC=C)C(OC(CCCCC)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.725
CB1 binding score: -15.434
InChIKey:XMKQFRFILQTEAM-UHFFFAOYSA-N
ID: 90155
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1(O2)C=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.825
InChIKey:QDMYBDKQIJUTDG-UHFFFAOYSA-N
ID: 90156
SMILES:CC1(O)c2c(cc(C)cc2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.43
InChIKey:LSKIKMUPRQAFRB-UHFFFAOYSA-N
ID: 90157
SMILES:C1(C(O)(C)C)Cc2c(CCCCC)cccc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -16.591
InChIKey:NXKRVRCDQYPSAY-UHFFFAOYSA-N
ID: 90158
SMILES:C(O)C1(O)CCC2C(C)(C)Oc3cc(C)ccc3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 262.349
CB1 binding score: -16.067
InChIKey:PSUVGRKLRCYGPQ-UHFFFAOYSA-N
ID: 90159
SMILES:c1cc(O)c(C)c2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.218
InChIKey:PPQGSYXZPWMEOQ-UHFFFAOYSA-N
ID: 90160
SMILES:c12c(OC)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.06
InChIKey:KSDSETBZUIJIFF-UHFFFAOYSA-N
ID: 90161
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 90162
SMILES:COC(c1c2c3c(cc(O)c(C(CC=C(CCC=C(C)C=C)C)C)c3O1)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -13.522
InChIKey:NMXCWBMNHQMIAC-UHFFFAOYSA-N
ID: 90163
SMILES:C(C=Cc1c(C)c2c(c(COC(=O)C)c1O)OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.188
InChIKey:HEHPQKMIWXJFNG-UHFFFAOYSA-N
ID: 90164
SMILES:CC12Oc3ccc(CCCCC)cc3-C1C1C(C)(CCC1C(C)(O)C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -12.939
InChIKey:WFDHDRHERJHYGE-UHFFFAOYSA-N
ID: 90165
SMILES:C(C1(C)Oc2cc(C)cc(O)c2C2C1CCC(C(=O)OCC=C(C)C)=C2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.253
InChIKey:NASODRRTINVQHP-UHFFFAOYSA-N
ID: 90166
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 90167
SMILES:C1(C)(C)CCC=C(C)C2C1Cc1c(O)c(C(OCCC)=O)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.105
InChIKey:MZECVQYMHMBRBA-UHFFFAOYSA-N
ID: 90168
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 90169
SMILES:c1(CCC)cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 90170
SMILES:O=C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 90171
SMILES:C1CC12C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.245
InChIKey:WMIXSQVIIKQTLO-UHFFFAOYSA-N
ID: 90172
SMILES:Oc1cc(OC)c2c(c1CC=C(CCC=C(C)C)C)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -17.487
InChIKey:BNJHCACCSFIDDL-UHFFFAOYSA-N
ID: 90173
SMILES:C1(=O)CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.495
InChIKey:VFLHTHNUQQKPQR-UHFFFAOYSA-N
ID: 90174
SMILES:c1c(CC(C)CCCC=Cc2ccccc2)cc2c(c1O)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.614
CB1 binding score: -12.001
InChIKey:LBZKXGGLFUPAMJ-UHFFFAOYSA-N