ID: 98554
SMILES:O=C(C)CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.179
InChIKey:NOOMXXGESVBYII-UHFFFAOYSA-N
ID: 98555
SMILES:CC1=CCC2C(C)(C)Oc3c(cc(O)cc3)C2CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.078
InChIKey:CGYWDJHFQWMJDE-UHFFFAOYSA-N
ID: 98556
SMILES:C1(C)C2(C)C=C3C(O)(C(C)OC3=O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.609
InChIKey:JNRXKWUYZJACAZ-UHFFFAOYSA-N
ID: 98557
SMILES:C1c2cc(CCCCC)cc(O)c2C(c2c3c(c(C)c(O)c2)CC(C)(C)CC3=O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -14.578
InChIKey:VDBBBWDTQSNZHE-UHFFFAOYSA-N
ID: 98558
SMILES:O1C(CO)C(O)C(O)C(O)C1Oc1ccc(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.475
CB1 binding score: -16.51
InChIKey:SRAVRSKFLHNWII-UHFFFAOYSA-N
ID: 98559
SMILES:C1=C2C(OC)(CC3C1(C)CCC(C(C)=C)Cc1c(O)c(C(=O)O)c(CCC)cc1O3)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -13.774
InChIKey:VJZFPTRJYVYTTM-UHFFFAOYSA-N
ID: 98560
SMILES:C1CC2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.903
InChIKey:LIEYGYSSIPUCTN-UHFFFAOYSA-N
ID: 98561
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 98562
SMILES:c12c(OC)cc(CCC)cc1OC1(C)CCC3C(C)(C)C3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.994
InChIKey:MAUNOUQZSDDSPI-UHFFFAOYSA-N
ID: 98563
SMILES:CC1=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: 98564
SMILES:C1=CC(C)(O)CCC2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.26
InChIKey:HORSMAAJWXEDES-UHFFFAOYSA-N
ID: 98565
SMILES:C1(C(C)(C)O)CC=C(C)CC1c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.23
InChIKey:ZILOMADHKUIPPH-UHFFFAOYSA-N
ID: 98566
SMILES:Oc1c(C=O)c(CO)c2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -15.988
InChIKey:MFDYPGZSJGOFMY-UHFFFAOYSA-N
ID: 98567
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 98568
SMILES:c12c(O)cc3c(c1OC(C)(C)C1CC=C(C)CC1C3=O)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.354
CB1 binding score: -16.379
InChIKey:BRJDFHAQIFHOPI-UHFFFAOYSA-N
ID: 98569
SMILES:O1c2cc(CCCCC)cc(O)c2C(C)C1CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -16.109
InChIKey:FNFWSISEDHCBRH-UHFFFAOYSA-N
ID: 98570
SMILES:c12c(cc(CCCCC)c(C(O)=O)c1O)C1C(CCC(C)=CCCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.128
InChIKey:LWTRNTUFTSQNBI-UHFFFAOYSA-N
ID: 98571
SMILES:C(C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2)C1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.379
InChIKey:CDIKZNXJTJZTTE-UHFFFAOYSA-N
ID: 98572
SMILES:c1ccccc1C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Chalcones
MW: 376.496
CB1 binding score: -14.174
InChIKey:OKMXOORDDFEUNL-UHFFFAOYSA-N
ID: 98573
SMILES:C1CC(C)C2C1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.334
InChIKey:WFOWOVLQLNMZPU-UHFFFAOYSA-N
ID: 98574
SMILES:C(Cc1c(C)c(O)cc2c1c(O)c1c(c2O)OC(C)(C)C2C1C=C(C)CC2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -13.051
InChIKey:CBTSPUUGFCNPSG-UHFFFAOYSA-N