ID: 107752
SMILES:C(c1c(CC)cc(OC2(C(C)C)CCC(C)=CC2)cc1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -13.391
InChIKey:VVKCOTYXPGUULB-UHFFFAOYSA-N
ID: 107753
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 107754
SMILES:C12(C(C)(C)Oc3cc(CCCCC)cc4c3C1C=C(C)CCC=C(C)CC4O)Oc1cc2c(cc1)CC(O)C(C)(CCC=C(C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 642.921
CB1 binding score: -13.498
InChIKey:NFIFZDHEUCDNLL-UHFFFAOYSA-N
ID: 107755
SMILES:CC1(C)C2Cc3c(ccc(CCCCC)c3)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -14.336
InChIKey:VVIQARRIPYQJJI-UHFFFAOYSA-N
ID: 107756
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(CCC3C2(C)CCCC3(C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.327
InChIKey:FBYNAMQVLNDBNR-UHFFFAOYSA-N
ID: 107757
SMILES:C1CC(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.389
InChIKey:UHEDSPPIFUFKCL-UHFFFAOYSA-N
ID: 107758
SMILES:CC1(C)C2CCC(C)=CC2c2c1cc(CCCCC)cc2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.594
InChIKey:GBBIYEKUPBZPNQ-UHFFFAOYSA-N
ID: 107759
SMILES:N(C)(C)CCOC(=O)CCc1ccc2c(c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.489
CB1 binding score: -11.361
InChIKey:ZBLYPTDEJRTWGZ-UHFFFAOYSA-N
ID: 107760
SMILES:C12CC(C(C)(O)C)CCC1(C)Oc1c2cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.847
InChIKey:GLIBTQLAKALVJO-UHFFFAOYSA-N
ID: 107761
SMILES:C(CCCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 107762
SMILES:C1(=O)C=C(C)CC(c2c(O)cc(CCC)cc2O)C1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -12.798
InChIKey:NIYMUKGSMQCUQY-UHFFFAOYSA-N
ID: 107763
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107764
SMILES:C1(C)(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 107765
SMILES:c1(C(=O)C)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.841
InChIKey:KSJNUCFSQJEIEN-UHFFFAOYSA-N
ID: 107766
SMILES:C(CCC)C1=C(OC)C(=O)C2=C1C=CC1(C(C)=CCCC1(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.585
InChIKey:JUPSAFGQEGTUDD-UHFFFAOYSA-N
ID: 107767
SMILES:c1(C(O)=O)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(CCC(=O)C)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.694
InChIKey:XRHYXIGWVPXDMB-UHFFFAOYSA-N
ID: 107768
SMILES:O=C(O)Oc1cc(CCCCCC)cc(O)c1C1C(C(C)=CCC=C(C)C)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: Not available
InChIKey:CCQIMFNKKZNNOI-UHFFFAOYSA-N
ID: 107769
SMILES:CC(C)=CCc1c2c(ccc1O)OC(C)(C)C1C(C2)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.705
InChIKey:SKYKELDMZNVKIP-UHFFFAOYSA-N
ID: 107770
SMILES:CC(C)(C)c1c(O)c2c(c(O)c1)C1C=CC(CC=C(C)CCC=C(C)C)C1=C(OC)C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14.605
InChIKey:RCZDAFXITWOCKI-UHFFFAOYSA-N
ID: 107771
SMILES:CC(C1C(O)C2c3c(cc(CCCCC)cc3O1)OC(C)(C)C=C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.532
InChIKey:JWJBDOGYZZGHMK-UHFFFAOYSA-N
ID: 107772
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N