ID: 122767
SMILES:CC(CCC=C(C)C)=CCc1c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 122768
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 122769
SMILES:CCC(C)=CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.981
InChIKey:JFIGAHKCMMTATM-UHFFFAOYSA-N
ID: 122770
SMILES:O=C(OCC1(c2c(O)c(O)cc(CCCCC)c2)C(C(CCC(C(C)=C)OC(C)=O)C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.638
CB1 binding score: -14.951
InChIKey:DQYQSVYDNHUGEI-UHFFFAOYSA-N
ID: 122771
SMILES:C(C1CCC2(C)C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.369
InChIKey:ADEKTXKVYBHNEL-UHFFFAOYSA-N
ID: 122772
SMILES:CC1=CC2C(CC1C)C(C)(C)Oc1c2cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Meromonoterpenoids
MW: 258.361
CB1 binding score: -16.661
InChIKey:ZKTPWYLIKAOSII-UHFFFAOYSA-N
ID: 122773
SMILES:c12cc(O)ccc1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 122774
SMILES:c1c(OC)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 122775
SMILES:c1(C)cc(OC)cc2c1OC(CCC(C(C)(C)OC)O)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.684
InChIKey:IYYUSUHVOIHJQZ-UHFFFAOYSA-N
ID: 122776
SMILES:CC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 122777
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C(=C)C)CCC(C)(OO2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.216
InChIKey:UVOKIDRPSOFVDN-UHFFFAOYSA-N
ID: 122778
SMILES:Oc1c2c(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: 122779
SMILES:O=C1c2ccc(CCCCC)cc2OC(C)(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -15.073
InChIKey:QCKMKLYAMBJROQ-UHFFFAOYSA-N
ID: 122780
SMILES:c1(CCCC(CCCC2(C)CCC(=O)O2)C)cc(O)c(O)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.709
InChIKey:KDHYSEPRFSFUIX-UHFFFAOYSA-N
ID: 122781
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 122782
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2C)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.237
InChIKey:YNTPLBXNMHSDRG-UHFFFAOYSA-N
ID: 122783
SMILES:C1(C)=CC(c2c(O)cc(C)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 122784
SMILES:c1(CC(Oc2cc(C)c(O)cc2C(C)C)c2cc(CCCCC)cc(O)c2c(=O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.824
CB1 binding score: -15.41
InChIKey:OGMYHBOUBMYTAZ-UHFFFAOYSA-N
ID: 122785
SMILES:COc1c2c(c(OC)cc1CCCCC)OC(C)(C)C1CCC(C)CC1N2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.58
CB1 binding score: -15.609
InChIKey:USQPRLLDQOGRBY-UHFFFAOYSA-N
ID: 122786
SMILES:C(CCC(C)C)C(C)=CCc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.674
InChIKey:LYZHDOLHKUOPMP-UHFFFAOYSA-N
ID: 122787
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.946
InChIKey:ZZWBNNWUXWMLHU-UHFFFAOYSA-N