ID: 39166
SMILES:CCCC(C)=C(c1c(O)cc2c(c1)C1CC(C(C)=C)CCC1(C)Oc1c2cc(O)c(CC=C(C)C)c1)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.804
CB1 binding score: -15.937
InChIKey:PHVVPTSLNVCJRL-UHFFFAOYSA-N
ID: 39167
SMILES:C(CCc1cc(C2C=C(C)CCC2C(C)C)c(O)cc1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 300.486
CB1 binding score: -18.255
InChIKey:FVMNSBXLYRKHTD-UHFFFAOYSA-N
ID: 39168
SMILES:CC1(C)Oc2c(cc(O)cc2)C2C1CCC(C)=CCCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.418
InChIKey:SMXZKMWKWSEZRU-UHFFFAOYSA-N
ID: 39169
SMILES:C1CCC(=C)c2c3c(c(O)cc21)C=CC(C)(CCC=C(COC(C)=O)C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -12.222
InChIKey:FDUVFGYDFYIOME-UHFFFAOYSA-N
ID: 39170
SMILES:COc1ccc(C)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.502
InChIKey:TVALGMPTUIMGQM-UHFFFAOYSA-N
ID: 39171
SMILES:C1(C)=CC2C(C(C)(C)Oc3c(C(O)=O)c(C=O)cc(O)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.353
CB1 binding score: -14.13
InChIKey:ACKIESUXMWNVCK-UHFFFAOYSA-N
ID: 39172
SMILES:CC(=CCC1OC(C)(C)C(O)CCC(C)=CCc2c(O)cc(OC)cc21)C=CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.455
InChIKey:HRFXLOHPZRBDKI-UHFFFAOYSA-N
ID: 39173
SMILES:C1(C)C=CCc2cc3c(cc2CCCCC)OC1(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -14.744
InChIKey:HKNAGDSOHDREDU-UHFFFAOYSA-N
ID: 39174
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(C(O)C(O)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.015
InChIKey:VYRLVBJOUHLAHZ-UHFFFAOYSA-N
ID: 39175
SMILES:Oc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 39176
SMILES:OC12C(CCC(C)C(O)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.688
InChIKey:ZQCKVTHPOQFUFP-UHFFFAOYSA-N
ID: 39177
SMILES:C1(C)C(O)=CC2(C(O)(C)C)C1c1cc(CCCCC)cc(OC(C)=O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.236
InChIKey:KNGMOHVXDWNDDJ-UHFFFAOYSA-N
ID: 39178
SMILES:C=C(C1Cc2c(cc(O)cc2C)O1)CCC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -18.344
InChIKey:CKJMULIJRLDJMJ-UHFFFAOYSA-N
ID: 39179
SMILES:c1(O)cc(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 39180
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 39181
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21CC=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.604
InChIKey:ABYUXRNFBDKHDF-UHFFFAOYSA-N
ID: 39182
SMILES:c1c(OC)c2c3c(c1C)C1C(C(C)(O)CCC1C(C)(C)O2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.263
InChIKey:HCJONUULROAAGB-UHFFFAOYSA-N
ID: 39183
SMILES:C1CCC(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.26
InChIKey:NBWHNWGBJXEUOT-UHFFFAOYSA-N
ID: 39184
SMILES:Oc1c(CCCC)c(O)c(CC=C(CCC=C(C)CCC=C(C)C)CO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.078
InChIKey:WDUWVLVYPWBPPI-UHFFFAOYSA-N
ID: 39185
SMILES:O(c1c2c(cc(O)c1)OC(C)(C)C1CC=C(C)C(O)C21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.754
InChIKey:HWKFLEWAWCSDEO-UHFFFAOYSA-N
ID: 39186
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N