ID: 94144
SMILES:C1CC2C(C)(C)Oc3cc(CCCC)cc(O)c3C1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -10.779
InChIKey:PUWIDTWBIJNNEH-UHFFFAOYSA-N
ID: 94145
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 94146
SMILES:C(CCCCC(=O)OCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.411
InChIKey:AAYIFGQCZRJECB-UHFFFAOYSA-N
ID: 94147
SMILES:C(C1=CC(c2ccc(CCCC)cc2)C(C(C)(O)C)C1)(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.886
InChIKey:JHCPYEQUXCFFJO-UHFFFAOYSA-N
ID: 94148
SMILES:Oc1c(C2C(C(O)(C)C)CCC(C)=C2)c(C)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.75
InChIKey:CMWQEOSHXPEKLB-UHFFFAOYSA-N
ID: 94149
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(c2ccccc2)CC)C(CC)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.639
CB1 binding score: -14.218
InChIKey:WVEJMNUCWQKUJW-UHFFFAOYSA-N
ID: 94150
SMILES:c1c(CCC=C(C)C)cc(O)c2c1OC(C)(C)C1CCC(O)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.719
InChIKey:ZECUJFAOTDACEL-UHFFFAOYSA-N
ID: 94151
SMILES:O=C(O)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.872
InChIKey:OYCNYQQDHLFHRC-UHFFFAOYSA-N
ID: 94152
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94153
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.025
InChIKey:MCFFKCYKPGPNQJ-UHFFFAOYSA-N
ID: 94154
SMILES:C1(O)C(C)=CC(c2c(O)cc(CCCCC[N+](CC)(C)CCC)cc2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.654
CB1 binding score: -13.315
InChIKey:RSVQRDXAEIWAII-UHFFFAOYSA-O
ID: 94155
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 94156
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C1)C(OC)CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.101
InChIKey:HAKNGMRXCCGXER-UHFFFAOYSA-N
ID: 94157
SMILES:C(CCCC(C)(C=CCC1(C)C=Cc2c(cc(C)c(O)c2)O1)C)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.017
InChIKey:ULHMOZPLJUTDPD-UHFFFAOYSA-N
ID: 94158
SMILES:C12c3c(c(CCCCC)cc(O)c3)OC(CCC=C(C)C)(C)C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.357
InChIKey:QXLIGMDDZXCILV-UHFFFAOYSA-N
ID: 94159
SMILES:C1CC(C)=CC(c2cc(CCN(C)C)ccc2O)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -17.957
InChIKey:JVTBDUWWCYUSCG-UHFFFAOYSA-N
ID: 94160
SMILES:CC12C3C(C(C)C)(C3)OC13c1c(cc(CCCCC)cc1O)OC(C)(CC3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.801
InChIKey:LNAHSIQIEIMMGV-UHFFFAOYSA-N
ID: 94161
SMILES:C1C23C(C)CCC4C(C)(C)Oc5cc(CCCCC)cc(O)c5C14C2C(O)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -13.82
InChIKey:HXFQJAOTDSUZNP-UHFFFAOYSA-N
ID: 94162
SMILES:O(C(=O)C)CC(=CCc1c(O)c(C)cc(O)c1)C(O)CCC(CO)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -16.062
InChIKey:GPLNQZBLYJRJFT-UHFFFAOYSA-N
ID: 94163
SMILES:C1=C(C)C(O)CC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 94164
SMILES:c1c(O)c(C=O)c2c(c1CCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.633
InChIKey:OSHAWRNQZIPCMW-UHFFFAOYSA-N