ID: 72640
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 72641
SMILES:C1C2C(O)(CC(=O)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -12.209
InChIKey:YZRJDGFQCKJLLD-UHFFFAOYSA-N
ID: 72642
SMILES:C1=C(C)C2C(C1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 214.308
CB1 binding score: -17.372
InChIKey:FBMITQWYBHIXCB-UHFFFAOYSA-N
ID: 72643
SMILES:c12c(c(O)cc(C)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 72644
SMILES:C12(C)CCC(C(=C)C(=O)NCC)CC1C(C)c1c(OC(=O)C)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.612
CB1 binding score: -15.864
InChIKey:ZFRHYXNWEVOXDA-UHFFFAOYSA-N
ID: 72645
SMILES:OC(C(O)(C=C)C)C(c1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -13.414
InChIKey:XSWGTYGMWUBOPH-UHFFFAOYSA-N
ID: 72646
SMILES:CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 72647
SMILES:C(CCC(=O)Oc1cc(C)c(O)c(CC=C(CCC=C(C)C)C)c1)(C)C1=CCC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -15.577
InChIKey:UAMUKEPCVRTYOU-UHFFFAOYSA-N
ID: 72648
SMILES:C1C(C)(C)C2C(c3c(O)cc(CCC)cc3O)CC2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.723
InChIKey:CHFWVWRAFPCKJE-UHFFFAOYSA-N
ID: 72649
SMILES:O1C2(OC(C)(CCC(C(C)=C)C=C)CC2)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.064
InChIKey:UFMGOBXNDDENCZ-UHFFFAOYSA-N
ID: 72650
SMILES:c12c(OC)cc(CCCCC)cc1OC(C)(C)C1=CCC(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.929
InChIKey:OFEYNLILLTVMAU-UHFFFAOYSA-N
ID: 72651
SMILES:C(C)(C)C1C(c2c(OC(=O)C)cc(CCCCC)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -18.271
InChIKey:UODLHUGHESMPTP-UHFFFAOYSA-N
ID: 72652
SMILES:C(CCCC)c1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.496
InChIKey:GLELXQOALSIMRJ-UHFFFAOYSA-N
ID: 72653
SMILES:C1CC2C(C)CCC(C(C)(C)Oc3cc(CCCCC)cc(OC)c3O)C2C1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.132
InChIKey:CINHOOUEHYWDIP-UHFFFAOYSA-N
ID: 72654
SMILES:O(c1cc(C2CC=C(CCC=C(C)C)CC2(CC=C(CO)C)CO)ccc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.435
InChIKey:GEFAAYYELGJDAS-UHFFFAOYSA-N
ID: 72655
SMILES:CC(=CCCC(C)=CCC1CCC(C)=CC1c1c(O)c(C(=O)C(CC)C)c(O)c(CCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -11.814
InChIKey:LPDYFCPLMFLCBJ-UHFFFAOYSA-N
ID: 72656
SMILES:c1c2c(cc(CCCCC)c1)CC=C(C)CCC=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -17.792
InChIKey:VXWNBTBZCOFIGJ-UHFFFAOYSA-N
ID: 72657
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(CC=C(C)C)C(C)(C)C(CCC=CC)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.761
CB1 binding score: -13.316
InChIKey:ZREMSKXRKLIPFL-UHFFFAOYSA-N
ID: 72658
SMILES:C12C(C(C)(C)Oc3c4c(cc(O)c31)C(O)CC(C(=C)C)C4)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.551
InChIKey:TYQRSOIVHOWMQR-UHFFFAOYSA-N
ID: 72659
SMILES:C1C(C(C)C)C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.327
InChIKey:KRRAZOKZDGRJOH-UHFFFAOYSA-N
ID: 72660
SMILES:c1c(OC)c(CCCCC)cc2c1C1C(CCC(COC)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.135
InChIKey:BIKTUUWJAYYDIS-UHFFFAOYSA-N