ID: 78856
SMILES:c1(CCCCC)cc2c(c(O)cc(CCCCC)c2)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.442
CB1 binding score: -15.363
InChIKey:DBJJVOLQTHNOKL-UHFFFAOYSA-N
ID: 78857
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=O)C=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 78858
SMILES:CC1(C)Oc2cc(O)cc(C)c2C2C1CCC(C(=O)OC)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.491
InChIKey:FOMKNTFSPKTMNN-UHFFFAOYSA-N
ID: 78859
SMILES:Oc1cc2c(cc1O)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.481
InChIKey:VUZZQSIIXUQSDM-UHFFFAOYSA-N
ID: 78860
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)-c2ccccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -17.834
InChIKey:ZLHQMHUXJUPEHK-UHFFFAOYSA-N
ID: 78861
SMILES:O=C(C=Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.575
InChIKey:JRFXSSLQVOXZEA-UHFFFAOYSA-N
ID: 78862
SMILES:C1C2C(C1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.552
InChIKey:MRVPSRLMKWYLGO-UHFFFAOYSA-N
ID: 78863
SMILES:C1(CC(=CCc2c(O)c(C)cc(OC)c2)C)=CC(C)(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.1
InChIKey:OKDFAPXXWCIWMG-UHFFFAOYSA-N
ID: 78864
SMILES:c1c(CO)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -13.889
InChIKey:IOADEECTMMAFIE-UHFFFAOYSA-N
ID: 78865
SMILES:C(CCC=C(C)C)(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 78866
SMILES:c1c(CCCCC)cc2c(c1O)C1(OCC(C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.321
CB1 binding score: -16.334
InChIKey:MEISBESZUKEYTN-UHFFFAOYSA-N
ID: 78867
SMILES:CC(OCC1=CC2C(C(C)(C)Oc3cc(C(C)C)c(OC(c4ccccc4)=O)cc32)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.559
CB1 binding score: -15.946
InChIKey:VPMJTRFHZISSIU-UHFFFAOYSA-N
ID: 78868
SMILES:c1(C(=O)C(C)CC)c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.453
InChIKey:NIZQVFOBIVYVBJ-UHFFFAOYSA-N
ID: 78869
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 78870
SMILES:C(CC)CCc1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.929
InChIKey:ARXIEYKOZTXTLV-UHFFFAOYSA-N
ID: 78871
SMILES:C12(C(C)(C)Oc3cc(O)cc(C)c31)OC(CC=C(C)CCCC(C)(C)O)(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.997
InChIKey:ZCAKSNYRZRDJAS-UHFFFAOYSA-N
ID: 78872
SMILES:C(CC(C)=CCc1c(O)c(C)cc(O)c1)(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.648
InChIKey:VYLYGHBQVDBTQT-UHFFFAOYSA-N
ID: 78873
SMILES:CC(C1C(c2c(O)cc(CCCCCO)cc2O)C=C(CO)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.616
InChIKey:YJLNKQZBIIPWNP-UHFFFAOYSA-N
ID: 78874
SMILES:c1(OC(CC(C)=O)=O)cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.041
InChIKey:BAWBOVQDAJUMRR-UHFFFAOYSA-N
ID: 78875
SMILES:C(CC)Cc1cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.35
InChIKey:ONUSETJNXRTNAA-UHFFFAOYSA-N
ID: 78876
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(CCCC)c3)C(C=O)=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.22
InChIKey:OEFGXVVZODETII-UHFFFAOYSA-N