ID: 125014
SMILES:Oc1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125015
SMILES:c1(C2C(C(=C)CO)CCC(C)=C2)c(O)cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.91
InChIKey:WHFZRKYCYSKYKK-UHFFFAOYSA-N
ID: 125016
SMILES:C12CC3=C(C)C(=O)OC3(O)C(O)C1(C)Oc1cc(CCCCC)cc(OC(=O)C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.47
CB1 binding score: -15.519
InChIKey:IQNGXDMEGFHNMN-UHFFFAOYSA-N
ID: 125017
SMILES:c1(CC(OC)=O)ccc(Oc2cc3c(c(C)c2)C2C(CCC(C)=C2)C(C)(C)O3)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -14.254
InChIKey:ITELTNIWJHYJLF-UHFFFAOYSA-N
ID: 125018
SMILES:CC(C)c1cc2c(cc1OC)C1C=C(C)CCC1C(C)(O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.134
InChIKey:BEOGPCUMBXILGS-UHFFFAOYSA-N
ID: 125019
SMILES:C(c1cc(OC)c(C2C=C(C)CCC2C(=C)C)cc1)CCCC=CCC=CCC=CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.773
CB1 binding score: -14.084
InChIKey:YUXWPVSQIGQVEA-UHFFFAOYSA-N
ID: 125020
SMILES:C=C(C)C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.878
InChIKey:UYBGHBAVRNATET-UHFFFAOYSA-N
ID: 125021
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 125022
SMILES:C1(=C)C(OO)C(c2c(OC)cc(CCCCC)cc2OCc2ccccc2)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.184
InChIKey:MKPRNLIDFOPSAQ-UHFFFAOYSA-N
ID: 125023
SMILES:c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 125024
SMILES:CCCc1cc(O)c(C2C(C(C)=C)CCC(CO)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.497
InChIKey:SAAKWLWLDDSXCQ-UHFFFAOYSA-N
ID: 125025
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)C=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.794
InChIKey:LXFKVNLDILDAGB-UHFFFAOYSA-N
ID: 125026
SMILES:c1c(C(=O)c2c(C)cc(OC)c(C3C=C(C)CCC3C(C)=C)c2O)c(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.742
CB1 binding score: -14.753
InChIKey:JRDUGNRBVGYXOR-UHFFFAOYSA-N
ID: 125027
SMILES:C1=C(C)CC2C(C(C)(C)Oc3ccc(O)c(C)c3C2=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.225
InChIKey:KPVQGGCFEFHIKB-UHFFFAOYSA-N
ID: 125028
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: 125029
SMILES:O[N+](c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.339
CB1 binding score: -15.94
InChIKey:UJVDRURUJCVYHW-UHFFFAOYSA-O
ID: 125030
SMILES:c1c(C)c(O)cc2c1OC(c1cc(CCCCC)cc(O)c1C=O)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.197
InChIKey:LCHLDBOFKQCGBQ-UHFFFAOYSA-N
ID: 125031
SMILES:c1(O)cc(OC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.905
InChIKey:RNOQYSXGLMPXLQ-UHFFFAOYSA-N
ID: 125032
SMILES:O(c1cc(O)cc(CCC)c1)C(C1CCC(C)=CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.712
InChIKey:BXZUKZMEHQWCJK-UHFFFAOYSA-N
ID: 125033
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125034
SMILES:C12(c3c(O)cc(CCC)cc3OC(C)=CC1)C(C)(C)CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.665
InChIKey:WGOBOGGESGOOPJ-UHFFFAOYSA-N