ID: 68860
SMILES:CC1C2(Oc3c(c(OC(=O)C)cc(CCCCC)c3)C2OC(=O)C)C2CCC(=C)C3C(C(C)(C)C3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -16.714
InChIKey:FPOHCQJCJXUSRE-UHFFFAOYSA-N
ID: 68861
SMILES:OCC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.012
InChIKey:QOIXPVSIXKIGON-UHFFFAOYSA-N
ID: 68862
SMILES:CC=CCc1cc(O)c(C2CC(C)CCC2C(C)C)cc1-c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.692
CB1 binding score: -17.482
InChIKey:VTQUYHPIZUJSCV-UHFFFAOYSA-N
ID: 68863
SMILES:CC(CCC=C(CCC=C(C)C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 68864
SMILES:C1C(C)=CC=C(C)C2C1C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.533
InChIKey:VJOPZWWUJRDYLA-UHFFFAOYSA-N
ID: 68865
SMILES:CC1=CCC2C(C)(CO)Oc3c(cc(C(OC)=O)c(O)c3)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -15.717
InChIKey:BBIRLXKEOWIBPG-UHFFFAOYSA-N
ID: 68866
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C(C)CC)c3O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.579
InChIKey:ILBSOKNORXLUCD-UHFFFAOYSA-N
ID: 68867
SMILES:C1(C)(C)Oc2cc(Br)c(O)cc2C2C(C)(C)CC(=O)C(O)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.255
CB1 binding score: -14.049
InChIKey:DMADEEJIYIAXGB-UHFFFAOYSA-N
ID: 68868
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 68869
SMILES:Oc1cc(CCC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.559
InChIKey:UNKCBUFGTIWVPT-UHFFFAOYSA-N
ID: 68870
SMILES:Cc1cc2c(cc1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.213
InChIKey:ABQUTLCPMMOSHA-UHFFFAOYSA-N
ID: 68871
SMILES:c1(CCCCC)ccc2c(c1O)C1C3(C2(O)COC(=O)C)C(CCC3C)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.568
InChIKey:GXIJTVKTGVKQDX-UHFFFAOYSA-N
ID: 68872
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCc3ccc(O)cc3)cc(OC)c12
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 378.512
CB1 binding score: -16.502
InChIKey:RLUZBCZEGCGKRU-UHFFFAOYSA-N
ID: 68873
SMILES:C(CCC(C)=CCc1c(O)c(C(CCCCC)=O)c(CCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.122
InChIKey:QIOBAHATFVPXJN-UHFFFAOYSA-N
ID: 68874
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CC1)C=CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.586
InChIKey:UNXBSIHZQHUCDE-UHFFFAOYSA-N
ID: 68875
SMILES:C(C)CCCc1cc2c(c(O)c1)OC1(C)CC2C(CC=C(C)C)(C)C=CC1CCCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -14.658
InChIKey:GDSBTZIWJDWNDD-UHFFFAOYSA-N
ID: 68876
SMILES:O(C)c1c(CC=C(C)C)cc(O)c(C(OCC)=O)c1-c1c(OC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.665
CB1 binding score: -13.362
InChIKey:KYCAKBWEMDNOIE-UHFFFAOYSA-N
ID: 68877
SMILES:CC(CCCC(OC)(C)C)c1c(O)c(Cl)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 439.036
CB1 binding score: -11.309
InChIKey:YMWWBTFKVYAPBO-UHFFFAOYSA-N
ID: 68878
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 68879
SMILES:C1C(C=CC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.241
InChIKey:OBVGBKUPOJGHMF-UHFFFAOYSA-N
ID: 68880
SMILES:O(C(=O)C)c1c2c(c(O)cc1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.871
InChIKey:RCAIWFIVXJDTRR-UHFFFAOYSA-N