ID: 87067
SMILES:c1(Br)c(=O)c(CC(O)C)cc2cc1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.321
CB1 binding score: -18.06
InChIKey:OMKDHYHXYKRUPO-UHFFFAOYSA-N
ID: 87068
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCCO)cc1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.414
InChIKey:CBWMYOLGMNQQRC-UHFFFAOYSA-N
ID: 87069
SMILES:c1([N+](=O)[O-])cc2c(cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 273.332
CB1 binding score: -16.453
InChIKey:TXQYTCADGWOQJI-UHFFFAOYSA-N
ID: 87070
SMILES:C(Cc1cc(O)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.929
InChIKey:RVGZFPBKCYASSY-UHFFFAOYSA-N
ID: 87071
SMILES:C1(C)(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.615
InChIKey:IQKGHLTXTPDDJD-UHFFFAOYSA-N
ID: 87072
SMILES:CCCCCC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.078
InChIKey:FMPPVWZYDZDDHB-UHFFFAOYSA-N
ID: 87073
SMILES:CC1CC(c2c(O)cc(CCC)cc2O)OC2C1(O)C1(C)CC3OC(=O)C(C)=C3CC1=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.563
CB1 binding score: -17.167
InChIKey:GDSUHFVUTMDOBL-UHFFFAOYSA-N
ID: 87074
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.442
InChIKey:FRBSLGKYEBNHLH-UHFFFAOYSA-N
ID: 87075
SMILES:c12c(c3c(c(O)c1)CC(C)O3)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.239
InChIKey:ZLLYQJFMCRQQEG-UHFFFAOYSA-N
ID: 87076
SMILES:Oc1c(C(C(C)CC)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.078
InChIKey:ZJYYXCGFEUARDG-UHFFFAOYSA-N
ID: 87077
SMILES:C(CCC)Cc1cc2c(c(OC)c1)C=CC(C)(CCC=C(CCC=C(C)C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.505
InChIKey:HDFDVFHITGCJEG-UHFFFAOYSA-N
ID: 87078
SMILES:C12CC(C)(Oc3cc(CCCCC)c(O)c(O)c31)C(C)(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.445
InChIKey:VVFWHNVWDVSLOE-UHFFFAOYSA-N
ID: 87079
SMILES:CC1=CC(c2c(O)cc(C)cc2O)C(C(CCC=C(C)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.223
InChIKey:OJONPWSJCVBBKK-UHFFFAOYSA-N
ID: 87080
SMILES:C12C(C(C)(C)Oc3c1c(O)c(O)cc3)C=CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -14.977
InChIKey:BHADAVHFJBBUPI-UHFFFAOYSA-N
ID: 87081
SMILES:c1(O)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.561
InChIKey:RRHAEGQFRQNVHT-UHFFFAOYSA-N
ID: 87082
SMILES:CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 87083
SMILES:C(CC(C(C)(C)O)c1c2c(c(O)cc1C)C=CC(C)(C)O2)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.178
InChIKey:UYDOUESSVAZHFX-UHFFFAOYSA-N
ID: 87084
SMILES:C1(C)(C)Oc2c(cc(O)cc2)C2CC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 87085
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.745
InChIKey:OORFXDSWECAQLI-UHFFFAOYSA-N
ID: 87086
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.83
InChIKey:RSAHUKHXVRWSAR-UHFFFAOYSA-N
ID: 87087
SMILES:Cc1c(C(CCC)=O)c(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.085
InChIKey:HFBJIBKMMCSKPC-UHFFFAOYSA-N