ID: 50590
SMILES:C1(=O)C2(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)c(C(O)=O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -17.123
InChIKey:JCSKIQPTRMMYHD-UHFFFAOYSA-N
ID: 50591
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)c1ccc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.872
InChIKey:YPIYDQSTZUOFFH-UHFFFAOYSA-N
ID: 50592
SMILES:C12(CCC1=C)C(C)(C)Oc1cc(CCCCC)cc(OC(CCCCC)=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.301
InChIKey:SYGMQXMPURXMDP-UHFFFAOYSA-N
ID: 50593
SMILES:c1(O)c(C(=O)C(C)CC)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: 50594
SMILES:CC1(C)CC2C(OC(=O)C)c3c(cc(CCCCC)cc3O)OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -11.302
InChIKey:NHXOOTDBATZMMK-UHFFFAOYSA-N
ID: 50595
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 50596
SMILES:C(C1(C)C2C(C)(CCC1)Oc1cc(CCCCC)c(C(=O)O)cc12)CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -14.88
InChIKey:ATKIPJQKGDBVKX-UHFFFAOYSA-N
ID: 50597
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1=C2C(=O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.946
InChIKey:ZZWBNNWUXWMLHU-UHFFFAOYSA-N
ID: 50598
SMILES:C1CC(C)(OO)C2=C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C2CC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -11.791
InChIKey:NRAHILAIXHTIOO-UHFFFAOYSA-N
ID: 50599
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 50600
SMILES:Oc1c(CC=C(C)C)c(O)c(C2C(C(C)=C)CCC(C)=C2)cc1CC1C(=O)N(CCCC)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 479.661
CB1 binding score: -14.213
InChIKey:GWPIWXRRFQEAGE-UHFFFAOYSA-N
ID: 50601
SMILES:C1C2(C)CC(c3c(O)cc(CCCCCC)cc3O)OC(C)(C)C2CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.374
InChIKey:DFHWVPQVGVPHJT-UHFFFAOYSA-N
ID: 50602
SMILES:O(C)c1c(O)c(C)c(O)c2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.291
InChIKey:RAZHGWRFSHDZFR-UHFFFAOYSA-N
ID: 50603
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50604
SMILES:C1(C(O)=O)=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.795
InChIKey:IHMWBRDLWIMSOO-UHFFFAOYSA-N
ID: 50605
SMILES:OC12COC3C1C(C)CCC=C3C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.358
InChIKey:GASQSPLYECKVDL-UHFFFAOYSA-N
ID: 50606
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 50607
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 50608
SMILES:CC1(C)C2CC(O)C(C)=CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.125
InChIKey:PBCOSSIOLPRQDA-UHFFFAOYSA-N
ID: 50609
SMILES:c1(O)cc(C)c2c(c1CC(=O)O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -12.666
InChIKey:IPWXWPUHVJYLBN-UHFFFAOYSA-N
ID: 50610
SMILES:C(CCCc1cc(O)c(CC=C(C)CC=CC(=C)C)c(O)c1)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 356.55
CB1 binding score: -15.044
InChIKey:UGFCCEHHNTWNCZ-UHFFFAOYSA-N