ID: 61699
SMILES:O(Br)c1cc2c(cc1CC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 351.284
CB1 binding score: -14.176
InChIKey:FFFNFGZPAMKQAM-UHFFFAOYSA-N
ID: 61700
SMILES:O(C(C(C)(C)O)c1cc(OC)c2c(c1)OC(C)(C)C1CCC(O)(C)C(O)C21)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.518
CB1 binding score: Not available
InChIKey:ZZYAWNZOFIMZGS-UHFFFAOYSA-N
ID: 61701
SMILES:C(C)(CCC=C(C)CCC(O)C(=C)C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 444.612
CB1 binding score: -16.923
InChIKey:BXQHFNVALYPYHU-UHFFFAOYSA-N
ID: 61702
SMILES:C(=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CO)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.792
InChIKey:FELSFDDOTYDITC-UHFFFAOYSA-N
ID: 61703
SMILES:c1(C=O)c(CCCCC)cc2c(c1OC(C)=O)OC(C)(C)C1CC=C(C(=O)O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -9.029
InChIKey:OYHVKRFULJTQKB-UHFFFAOYSA-N
ID: 61704
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)CC1(O2)C(C)CC(=O)C(C(CC(=O)O)=C)=C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.481
CB1 binding score: -14.511
InChIKey:HWCOZLORBPAFND-UHFFFAOYSA-N
ID: 61705
SMILES:C1(C(C)(C)O)C(C=C(C)C)Oc2cc(CCCCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.425
InChIKey:OGNAZJKFDNKEFI-UHFFFAOYSA-N
ID: 61706
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(O)(C(=O)C(CC=C(C)C)(O)C1=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -15.563
InChIKey:MFVAPLUKEUIOAD-UHFFFAOYSA-N
ID: 61707
SMILES:C1C(C(=C)C)C(c2c(O)c(OC)ccc2CCCCCC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.339
InChIKey:TWOFPSPXYJMPCX-UHFFFAOYSA-N
ID: 61708
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 61709
SMILES:C1C(O)(C)C(=C)C2C(c3c(O)cc(CCCCC)cc3O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.868
InChIKey:NYBXMOOHWILVBN-UHFFFAOYSA-N
ID: 61710
SMILES:CC1=CCC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.127
InChIKey:WCYRMRSIOVEWGT-UHFFFAOYSA-N
ID: 61711
SMILES:C(=C)C(C)(OC)CCCc1cc(C=C(C)C=C(C)C)c(C2(C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -15.374
InChIKey:IZRIHFGDCHONQJ-UHFFFAOYSA-N
ID: 61712
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.608
InChIKey:RWBDTYGZMKWXLM-UHFFFAOYSA-N
ID: 61713
SMILES:c12c(cc(CCCCC)c(C=O)c1O)OC(CCC=C(C)C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -17.357
InChIKey:ZONXOWNNLFIHKT-UHFFFAOYSA-N
ID: 61714
SMILES:CC(CC)C(=O)c1c2c3c(cc(CC=C(C)C)cc3o1)OC(C)(C)C1C2C(O)C=C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -16.909
InChIKey:WUDDYPJYQSFYJB-UHFFFAOYSA-N
ID: 61715
SMILES:CC(C)c1c(O)c(=O)c(=O)c2c(cc1C)OC(C)(C)C1C2C=C(COC(=O)CC(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -9.753
InChIKey:RMOUGVQHQRLNNR-UHFFFAOYSA-N
ID: 61716
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(=C)C)CC=C(C)C1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -15.808
InChIKey:XWNJLDYNGFUCLW-UHFFFAOYSA-N
ID: 61717
SMILES:C(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 61718
SMILES:Oc1c2c(cc(C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 61719
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.392
InChIKey:RCCCKQKOMSTGQP-UHFFFAOYSA-N