ID: 62707
SMILES:C(C)(C)=CCCC(C1C2c3c(O)cc(CCCCC)c(OC)c3OC(C)(C)C2CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.657
CB1 binding score: -13.216
InChIKey:ZWIPUAGAZNNHQN-UHFFFAOYSA-N
ID: 62708
SMILES:C1C(C)=CC(c2c(O)c(C(=O)O)c(CCC)cc2O)C(C(=C)CCCO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -10.392
InChIKey:IMUYCJDPKVPKPA-UHFFFAOYSA-N
ID: 62709
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 62710
SMILES:c12cc(C)c(O)cc1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.792
InChIKey:OVLCNLKQINIQNN-UHFFFAOYSA-N
ID: 62711
SMILES:CC1=CC2c3c(c4c(c(O)c3C)C(C)C(C)O4)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.566
InChIKey:HBUFKNFQWOMQQX-UHFFFAOYSA-N
ID: 62712
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(O)(C(C)CC(=O)C1=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.423
InChIKey:SVIHNSFGWCQKKC-UHFFFAOYSA-N
ID: 62713
SMILES:c1(C2C(=O)C(C)CCC2C(C)C)ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.936
InChIKey:AUYGIVSKLSNNSP-UHFFFAOYSA-N
ID: 62714
SMILES:c1c(CCCCC)cc2c(c1O)C1(CC3C(C)(C)C(=O)C3=C(C)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.594
InChIKey:NENKKXOCABVKMM-UHFFFAOYSA-N
ID: 62715
SMILES:C12(C)C(c3c(cc(CCCCC)cc3O)O1)CC1=C(C(C)C)CCC1(C(O)=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.171
InChIKey:GYAHSPVIJCMGIB-UHFFFAOYSA-N
ID: 62716
SMILES:C1CC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.458
CB1 binding score: -18.825
InChIKey:MRVRCYNPVWGHLK-UHFFFAOYSA-N
ID: 62717
SMILES:C1(C)(C)C(C)(c2c(O)cc(CCCCC)cc2O)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -17.453
InChIKey:NIVAQGHPRXHFPI-UHFFFAOYSA-N
ID: 62718
SMILES:Oc1c(CO)ccc2c1C1C(C(C)(C)O2)CCC(=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.311
InChIKey:IYGKQXVPKVUROH-UHFFFAOYSA-N
ID: 62719
SMILES:C1CC2OC13c1c(cc(CCCCC)cc1O)OC(C)(C)C3CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.496
InChIKey:HFGQGWCHFSSENG-UHFFFAOYSA-N
ID: 62720
SMILES:C(c1cc2c(cc1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -14.154
InChIKey:BIGCGASRKBOZQT-UHFFFAOYSA-N
ID: 62721
SMILES:C(CC=Cc1cc2c(c(O)c1)C1CC(CO)=CCC1C(C)(C)O2)(CCCCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -17.608
InChIKey:QJJYYQBUBXTYGQ-UHFFFAOYSA-N
ID: 62722
SMILES:C1(=O)C(C)C2(Oc3c(c(O)cc(CCCCC)c3C=O)CC2)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.005
InChIKey:SFJGFDTZMMQBKO-UHFFFAOYSA-N
ID: 62723
SMILES:C1(C)(C)C2(C)CCC1CC2OC(=O)c1c(CCCCC)cc2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -15.097
InChIKey:KWPZWJXPVGMXFL-UHFFFAOYSA-N
ID: 62724
SMILES:C1=C(C)C2=C(C(C)(C)Oc3c(c(O)cc(CCC)c3)C2)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -13.831
InChIKey:JTGRPSBUJHEPGI-UHFFFAOYSA-N
ID: 62725
SMILES:OCC(c1cc(O)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -15.115
InChIKey:XWNRSFIPUFMYLM-UHFFFAOYSA-N
ID: 62726
SMILES:C1(O)C2(C)CCC(C(=C)C)C(c3c(O)cc(CCCCC)cc3O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.792
InChIKey:PANCLMXRCWESGS-UHFFFAOYSA-N
ID: 62727
SMILES:COc1c(C)cc2c(c1)C1CC(C)(C)C(O)C(O)Oc1(C(C)(C)O2)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: Not available
InChIKey:LTKOGYBFDRHPER-UHFFFAOYSA-N