ID: 19636
SMILES:CC(C)C1=CCC(C)CC1c1c(O)cc(CCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.277
InChIKey:YNEFVOKTBKYHSN-UHFFFAOYSA-N
ID: 19637
SMILES:O(C(C)=O)c1cc(CCCCC)cc(OC(C)=O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -17.009
InChIKey:CQXYYVMHDFTWJQ-UHFFFAOYSA-N
ID: 19638
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -12.984
InChIKey:DJLDWDPFUUDPHI-UHFFFAOYSA-N
ID: 19639
SMILES:C1C(C)=CCCC(C)=CCOc2c(ccc(CCCCC)c2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.619
InChIKey:CPSBOSLRJWAZHK-UHFFFAOYSA-N
ID: 19640
SMILES:O=C(O)c1c(O)c(CC=C(C)CCC=C(C)C)c2c(c1)C(CCCCCCCCC)cc(C1C=C(C)CCC1C(C)=C)c(O)c2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.91
CB1 binding score: -15.496
InChIKey:WRGACTDOSNVVIS-UHFFFAOYSA-N
ID: 19641
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C2(OC1=O)C(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -12.424
InChIKey:ONMZYFGOYMVHJC-UHFFFAOYSA-N
ID: 19642
SMILES:C1CC2(C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2C2C1(C)CCC(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.246
InChIKey:JJXAYMHJUAMJSG-UHFFFAOYSA-N
ID: 19643
SMILES:Cc1c(-c2cc(C(C)C)c(O)cc2C)c(O)c2c(c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -13.598
InChIKey:DMEBLTVENFKRQF-UHFFFAOYSA-N
ID: 19644
SMILES:O(C(C)=O)CC(C)c1c2c(c(C)cc1OC)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.239
InChIKey:WEWJEDCPWJHHMA-UHFFFAOYSA-N
ID: 19645
SMILES:C1CC2(C)Oc3c(c(O)cc(CCC)c3)C2C2C(C(C)=CCC2C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.353
InChIKey:YPNOZLYWRAEWRO-UHFFFAOYSA-N
ID: 19646
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.838
InChIKey:LAUVWNFTEMGUIQ-UHFFFAOYSA-N
ID: 19647
SMILES:C(C)(C12Oc3c(c(O)cc(CCCCC)c3)C3C=C(C(=O)O1)C32O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -16.078
InChIKey:NZMROGGKVGDZQU-UHFFFAOYSA-N
ID: 19648
SMILES:C1C(C)=CC2C(C(C)(C)Oc3cc(C)c(OC4OCC(O)C(O)C4O)c(OC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -13.947
InChIKey:PUWMUZGWXNXVJE-UHFFFAOYSA-N
ID: 19649
SMILES:CCCCCc1c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 19650
SMILES:O(c1cc2c(c3c1C1CC1C(C)(C)O3)OC(C)(C)CC2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -12.995
InChIKey:ZRTJHCRQXCINGJ-UHFFFAOYSA-N
ID: 19651
SMILES:C(C=C(C)C)CC(C)=CCc1c(C)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 426.597
CB1 binding score: -15.243
InChIKey:OHOLSUDJLQNEQX-UHFFFAOYSA-N
ID: 19652
SMILES:Cc1cc2c(cc1O)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 19653
SMILES:CC1(C)CCCC2(C)C1CC=C1C2c2c(cc(CCC)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.054
InChIKey:ODCURWCFQRXIGI-UHFFFAOYSA-N
ID: 19654
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 19655
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(O)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.1
InChIKey:TXGFTFSVQKYNOL-UHFFFAOYSA-N
ID: 19656
SMILES:CC1(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2C2=C1CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.438
InChIKey:WBBMOBLAKHMWBI-UHFFFAOYSA-N