ID: 78709
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 78710
SMILES:c1(CCCCC)ccc(O)c(CC=C(CCC=C(C)C)C)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: 78711
SMILES:C12C(C(=O)C=C(C)C)=CCC1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.049
InChIKey:DFBHCWQVRQEUKY-UHFFFAOYSA-N
ID: 78712
SMILES:CC1=CC(c2c(O)cc(CCC(C)C)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.581
InChIKey:WZGNAPVZUVYYLU-UHFFFAOYSA-N
ID: 78713
SMILES:C(CCCCCCCCCCCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.721
CB1 binding score: -14.726
InChIKey:JSPONXJDPDBQBA-UHFFFAOYSA-N
ID: 78714
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)c1cc(O)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -15.929
InChIKey:LHZZMEUPUMMDOO-UHFFFAOYSA-N
ID: 78715
SMILES:O1C(C)(C)C2C(C=C(C)CC2)c2c1cccc2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.281
InChIKey:KZTIITBECKQIPO-UHFFFAOYSA-N
ID: 78716
SMILES:C(CCCc1cc(OC(C)(C2CCC(C)=CC2)C)ccc1O)C(CC(C)(C1=CCC(C)=CC1)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -15.968
InChIKey:MOLMKZYADSAILX-UHFFFAOYSA-N
ID: 78717
SMILES:C(CCCCO)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.91
InChIKey:ZYIULORQQXMGIH-UHFFFAOYSA-N
ID: 78718
SMILES:OCC(C)c1cc2c(c(O)c1O)-c1c(cc(CCCCC)cc1O)OC(C)(C)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -15.836
InChIKey:PJODAOIYGNJBSW-UHFFFAOYSA-N
ID: 78719
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.313
InChIKey:VAUMCTCDFQYPOY-UHFFFAOYSA-N
ID: 78720
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCC(OC)=O)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.614
InChIKey:KQGPLRHOBQSORU-UHFFFAOYSA-N
ID: 78721
SMILES:C(CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -17.792
InChIKey:LTMDLXPPVFFIFP-UHFFFAOYSA-N
ID: 78722
SMILES:CCCCCc1cc2c(c(OCC3(C)C(CCC=C(C)C)O3)c1)OC(C)(C)C1CCC(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -15.503
InChIKey:YWWWFZRGLRQNEC-UHFFFAOYSA-N
ID: 78723
SMILES:C1(C)CCCC(C)C(=O)C2C(C)(C)Oc3cc(CCCCCC)cc(OC)c3C2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -12.183
InChIKey:DJDZRBCKKUAJAJ-UHFFFAOYSA-N
ID: 78724
SMILES:c1(O)ccc2c(c1)C(c1c(O)c(C3C=C(C)C(O)CC3C(C)C)c(O)cc1C)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 532.721
CB1 binding score: -14.227
InChIKey:LQKIJNUEWKVODN-UHFFFAOYSA-N
ID: 78725
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2O)C2CCC(C)=CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.041
InChIKey:HUDKIWCQCRVZSZ-UHFFFAOYSA-N
ID: 78726
SMILES:C1CC2(C)C(C(C)=C1)C(C(=O)C(C)C)(C=C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.941
InChIKey:HJLJZRVIKKNIFV-UHFFFAOYSA-N
ID: 78727
SMILES:c12c(O)cc(CCCCC)c(C3C(CO)OC(=O)C3)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.939
InChIKey:AFOGFRBUVDXNQH-UHFFFAOYSA-N
ID: 78728
SMILES:C1(C)=CCCC2=C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.844
InChIKey:NCQLYBDXUGTBCJ-UHFFFAOYSA-N
ID: 78729
SMILES:C1CC(=C)C(CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C(=O)C2)OC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.897
InChIKey:BRZIGWOYOMQZSX-UHFFFAOYSA-N