ID: 121192
SMILES:CC12OC1C1CC(C)(C)CC1c1c(O)cc(CCCCC)c(C(=O)OCCCC)c1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -12.332
InChIKey:MAJXQLIXOBNMEK-UHFFFAOYSA-N
ID: 121193
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 121194
SMILES:CC1(C)Oc2cc(C)cc(O)c2C2C=C(CO)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 121195
SMILES:c1(O)c(C(=O)CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.254
InChIKey:OLLFQXZPMRKMFO-UHFFFAOYSA-N
ID: 121196
SMILES:O1c2c(c(O)cc(CCCCC[N+](C)(C)C)c2)CC12C(C)(C)C(OC(=O)C(C)(C)O)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.662
CB1 binding score: -12.583
InChIKey:PJWRBLYKLUEYRC-UHFFFAOYSA-O
ID: 121197
SMILES:C1=C(C)CCC(C(C)(C)O)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 121198
SMILES:C=C1CC(OC(=O)C)C(C(C)C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.355
InChIKey:YRTYFFPBIPDHLI-UHFFFAOYSA-N
ID: 121199
SMILES:O=C(C1(C)C(C)Oc2cc(CCC)cc(O)c21)C=CC(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.424
InChIKey:XYAQFRJHJOOHTK-UHFFFAOYSA-N
ID: 121200
SMILES:c1(O)cc(CCCCC)cc2c1C1C(=C(C)C2=O)OC(CCC)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.572
InChIKey:CGNHZAPOLTWKGE-UHFFFAOYSA-N
ID: 121201
SMILES:C12(O)CC(C(C)=C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.064
InChIKey:JCJJEXSVMKWRJO-UHFFFAOYSA-N
ID: 121202
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 121203
SMILES:Oc1ccc(C(c2cc3c(c(O)c2)C2C(C(C)(C)O3)CC(O)C(C)C2)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.929
InChIKey:AOYCHKLPWWSYFZ-UHFFFAOYSA-N
ID: 121204
SMILES:C12CC=C(CCC=C(C)C)CC1C(=O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -15.034
InChIKey:WSFUSBVBPRGWNO-UHFFFAOYSA-N
ID: 121205
SMILES:C1(C)(CO)OC(C(C)CCCC(C)=CCCC2=CC(c3cc(O)cc(C)c3O)CC2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -14.266
InChIKey:WCNDHQSZIWRRKW-UHFFFAOYSA-N
ID: 121206
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 121207
SMILES:C1=C(C)C(O)C2C(C1)C(C)(C)Oc1c2ccc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 258.361
CB1 binding score: -15.374
InChIKey:BMUZUNXALCPYDS-UHFFFAOYSA-N
ID: 121208
SMILES:C1(O)C(C)=CC2c3c(OC)cc(C)c(CCCC(=O)OCCC(CCC=C(C)C)C)c3OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -15.574
InChIKey:VTLCJSMGXWQLIS-UHFFFAOYSA-N
ID: 121209
SMILES:CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 121210
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 121211
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC=O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.576
InChIKey:CJUGVJKECMOMGS-UHFFFAOYSA-N
ID: 121212
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N