ID: 34042
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merohemiterpenoids
MW: 234.295
CB1 binding score: -18.753
InChIKey:CJTQUGOPLSKVPR-UHFFFAOYSA-N
ID: 34043
SMILES:c1c(CCCC)c(O)c2c(c1)OC(CCC1C(=C)CCC(C)C1(C)C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.389
InChIKey:KXJWRMCLJVTNRP-UHFFFAOYSA-N
ID: 34044
SMILES:C(CCc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.924
InChIKey:TWCZXXWGORMQJM-UHFFFAOYSA-N
ID: 34045
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.616
InChIKey:GSIGZRDHTNPMRL-UHFFFAOYSA-N
ID: 34046
SMILES:C1(C)=CC(c2c(O)c(C(OC)=O)c(CCCCC)cc2O)C(C(C)(C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -17.739
InChIKey:AJWNTGNXPUGVPE-UHFFFAOYSA-N
ID: 34047
SMILES:C12C(C)(C)Oc3c(c(=O)oc(C)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.334
InChIKey:YOXVZKKXWJEOGV-UHFFFAOYSA-N
ID: 34048
SMILES:C(OCC1(OC)c2c(ccc(CCCCC)c2)C2C1C(C(=C)C)CCC2=C)=Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.67
CB1 binding score: -15.49
InChIKey:UZTKKEXLQSRSHB-UHFFFAOYSA-N
ID: 34049
SMILES:c1(O)ccc2c(c1C)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.767
InChIKey:PAEXFQCXJALBEH-UHFFFAOYSA-N
ID: 34050
SMILES:c1c2c(cc(CCCCC)c1)C1CC(CC3C(C=CC)=NN3)C(C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.495
CB1 binding score: -15.665
InChIKey:FYFLRYUGZWIAPQ-UHFFFAOYSA-N
ID: 34051
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=C(C(OC)=O)CCC(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.403
InChIKey:OQMAQSNLEJJSMG-UHFFFAOYSA-N
ID: 34052
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1C=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.473
InChIKey:HXMFEAKWXMBLON-UHFFFAOYSA-N
ID: 34053
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 34054
SMILES:C(CC=O)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.508
InChIKey:XNZKCWRCUWFYIN-UHFFFAOYSA-N
ID: 34055
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.885
InChIKey:ZGTZBRKFZJGQFD-UHFFFAOYSA-N
ID: 34056
SMILES:CC1=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -19.615
InChIKey:UPPMRXFTGBOGTA-UHFFFAOYSA-N
ID: 34057
SMILES:C1(=O)C2(c3c(cc(CCCCC)cc3O)O1)C(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.614
InChIKey:FDXQWLQZPHCGTE-UHFFFAOYSA-N
ID: 34058
SMILES:C(Cc1cc(O)c2c(c1)OC(CCC1(C)C(=C)C(C)CCC1)(C)C(O)C2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -8.294
InChIKey:ZCDYNSRDGQWJNM-UHFFFAOYSA-N
ID: 34059
SMILES:O1c2c3c(cc(C(OCC)=O)c2C)OC(C)(C)C(CCC(C)=CCC1)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.259
InChIKey:YPWCYMLOPBLUAM-UHFFFAOYSA-N
ID: 34060
SMILES:OC1C23CCC(C)C2C(c2c(O)cc(CCCCC)cc2O3)OC(=O)C1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.249
InChIKey:DBKLQVWNMHXKEE-UHFFFAOYSA-N
ID: 34061
SMILES:C1(=O)C2C3(C(CCC(C)C3O)c3c(cc(CCCC)cc3O)O2)C=C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.74
InChIKey:YQPWFDMOTORNHJ-UHFFFAOYSA-N
ID: 34062
SMILES:c1c(C)c(C(C)(C)C)c(O)c2c1OC(C)(CC=CC(C)=C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.812
InChIKey:KBWGLVMTHWJXIX-UHFFFAOYSA-N