ID: 55651
SMILES:C(O)(C1C(C)(C)Oc2c1c(O)cc(CCCCC)c2)C1CCC(C)(O)C(Br)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 455.433
CB1 binding score: -12.14
InChIKey:NMIJDTSMDQBGIS-UHFFFAOYSA-N
ID: 55652
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)c-1c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -15.929
InChIKey:SKNCPAGZYNFOTK-UHFFFAOYSA-N
ID: 55653
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(CC=C(C)C1)C3(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.568
InChIKey:LENVSXWVKGPCJT-UHFFFAOYSA-N
ID: 55654
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)CC(C)(O)C2CC(CC1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.549
InChIKey:OXWYUKYSWNFUGB-UHFFFAOYSA-N
ID: 55655
SMILES:Oc1c(C(CC(C)C)=O)c(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.581
InChIKey:JFADHCMLMYPJCV-UHFFFAOYSA-N
ID: 55656
SMILES:C1=C(CO)CCC2C(C)(C)Oc3cc(CCCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 55657
SMILES:C1(Cl)C(C)(C)Oc2cc(CCC)cc(O)c2C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.756
CB1 binding score: -13.823
InChIKey:KBAINDDDXLQEAH-UHFFFAOYSA-N
ID: 55658
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.725
InChIKey:GBECPBJPHWUTDB-UHFFFAOYSA-N
ID: 55659
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.329
InChIKey:OGTYERSWJNGKFK-UHFFFAOYSA-N
ID: 55660
SMILES:C(CCCc1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.367
InChIKey:JJVBHCJLVARMFU-UHFFFAOYSA-N
ID: 55661
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 55662
SMILES:OC12C(=C)C3C(C(C)(C)C3)CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.763
InChIKey:RPDWEAYMLIXZKH-UHFFFAOYSA-N
ID: 55663
SMILES:C1C(C)CC2C(C(C)(C)Oc3c(C(=O)C(CC)C)c4c(c(CO)c3)OC(C)(C)C4C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.774
InChIKey:XSFZZBHAYHMHHA-UHFFFAOYSA-N
ID: 55664
SMILES:c1(CCCCC)cc(O)c2c3c1C(C(C)(C)O2)CC(CO)(O)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.352
InChIKey:MIJSPMUZZYNWHM-UHFFFAOYSA-N
ID: 55665
SMILES:c1(OC(=O)C)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(CC=C(CC)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.995
InChIKey:IEQFPVWLAGOEOJ-UHFFFAOYSA-N
ID: 55666
SMILES:Cc1c(CC2C(C)(CCC=C(C)C)Oc3c2c(O)cc(CCCCC)c3)c(O)c(CC2OC(C=C(C)C)C(O)=C2C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.828
CB1 binding score: -14.199
InChIKey:ZMAHAGJBJINDRK-UHFFFAOYSA-N
ID: 55667
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(OC)cc(C)c3)CCC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.948
InChIKey:JPPLAIILUMRKOU-UHFFFAOYSA-N
ID: 55668
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 55669
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 55670
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55671
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N