ID: 60838
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cn1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -15.719
InChIKey:QWYYUCMXEXDRRV-UHFFFAOYSA-N
ID: 60839
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(CCC=C(C)C)=C)C(C(O)(C)C)CCC(C)(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -9.544
InChIKey:OSBFFLQOFIAEHR-UHFFFAOYSA-N
ID: 60840
SMILES:c1(CCCCC)cc(O)c2cc1C1COc3c(c(C=O)c(O)c(O)c3C=O)CC1(C)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: -14.164
InChIKey:KZMUWYDJGKRHKH-UHFFFAOYSA-N
ID: 60841
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 60842
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(OC(C(C)(C)O)C1)C(O)C(=C)C3C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.441
InChIKey:YLEVDQHGCZTHDD-UHFFFAOYSA-N
ID: 60843
SMILES:C12(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -18.284
InChIKey:CRKIOILJSNLUMI-UHFFFAOYSA-N
ID: 60844
SMILES:O1C(=O)c2ccc(CCCCC)c(O)c2C2C(CC=C(C)C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.74
InChIKey:MMYKBLKTVHHDFJ-UHFFFAOYSA-N
ID: 60845
SMILES:OC1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 60846
SMILES:C1(C)=C2CC=C(C)CCC=C(C)CC=C2C(C)(C)Oc2cc(CCCCC)ccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.638
CB1 binding score: -17.683
InChIKey:INMRUYLZXGKXHF-UHFFFAOYSA-N
ID: 60847
SMILES:O1c2ccc3c(c2C2C1C(C)(C(C)C(O)CC(C)=C2)CCC(C)(C)O3)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -12.931
InChIKey:AOQPNAQFGJLSSA-UHFFFAOYSA-N
ID: 60848
SMILES:C(C)CCCc1c(-c2c(O)cccc2)c(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -15.206
InChIKey:FHEHKMWWRSIRJQ-UHFFFAOYSA-N
ID: 60849
SMILES:C1C(C(=C)C)CCC(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.837
InChIKey:LPGBGRZZFJCPHC-UHFFFAOYSA-N
ID: 60850
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -13.286
InChIKey:MQUFVWRTSLQRKU-UHFFFAOYSA-N
ID: 60851
SMILES:C(Cc1cc(OC)c(O)c(C2C=C(C)CCC2C(=C)C)c1O)=C(C)CCCC(C(=O)CCC(C)(C)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -14.744
InChIKey:HQOYAUACFZMDCM-UHFFFAOYSA-N
ID: 60852
SMILES:c1(CCc2cc(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2)c(O)c2c(o1)cc(O)cc2O
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 436.504
CB1 binding score: -15.53
InChIKey:GAMJYFJASAOTNI-UHFFFAOYSA-N
ID: 60853
SMILES:C(C(=O)O)=C(C)C1Oc2c(c(O)cc(CCCCCO)c2)C2C1(C)CCCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.229
InChIKey:VQZANCGAWCHEOQ-UHFFFAOYSA-N
ID: 60854
SMILES:O1C(C)(C)CCC12Cc1ccc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.416
InChIKey:FFOBPTWHIHHKSI-UHFFFAOYSA-N
ID: 60855
SMILES:c1(OC)c2c(c(C(O)=O)c(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.623
InChIKey:PQKWWWINWMRLTP-UHFFFAOYSA-N
ID: 60856
SMILES:Oc1c(O)c2c(c(O)c1)C1(C(=O)O)C(CCC(C)(OC)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.383
CB1 binding score: -13.675
InChIKey:PHUMHNKGSGQRGL-UHFFFAOYSA-N
ID: 60857
SMILES:O=C1c2c(ccc(C)c2CCOC(=O)C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -17.265
InChIKey:KQALMFINQBNPBR-UHFFFAOYSA-N
ID: 60858
SMILES:C(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N