ID: 54643
SMILES:O=C(OC)c1cc2c(cc1CCCCC)OC(C)(CCC=C(C)CCC=C(C)C)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.33
InChIKey:MPZMVJPFNZHCNY-UHFFFAOYSA-N
ID: 54644
SMILES:C1C=C(C)C2=Cc3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.591
InChIKey:DQNYAQLPHKCXHA-UHFFFAOYSA-N
ID: 54645
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 54646
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 54647
SMILES:C1=C(C)C(c2c(O)cc(CCCCC)cc2O)CC(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.086
InChIKey:HNKDRLPEGWRCAK-UHFFFAOYSA-N
ID: 54648
SMILES:CC1(C)Oc2cc(CCC)c(C(O)=O)c(O)c2C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.943
InChIKey:PSTIWXDDVJHQSN-UHFFFAOYSA-N
ID: 54649
SMILES:C(C1C(C)(Cc2c(OC(=O)C)cc(CCc3cc(O)cc(OC)c3)O2)CCC1)C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -14.939
InChIKey:QLXDVXUVJBJWJM-UHFFFAOYSA-N
ID: 54650
SMILES:c1(CCCl)ccc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.834
CB1 binding score: -15.29
InChIKey:LGCRMQGGTMRUJC-UHFFFAOYSA-N
ID: 54651
SMILES:C1CC(C)=CCCC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.032
InChIKey:NJSZRBFBYZMAGU-UHFFFAOYSA-N
ID: 54652
SMILES:CC(=CC1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -17.227
InChIKey:HMHUOTVYEJJFIY-UHFFFAOYSA-N
ID: 54653
SMILES:CC1=CC2C(C(C)(C)Oc3ccc(CCCCC)cc32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 54654
SMILES:c1(OC(=O)C)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.022
InChIKey:ZAZIHGFBNRVMAI-UHFFFAOYSA-N
ID: 54655
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 54656
SMILES:C1(=O)c2c(c(O)cc(O)c2C=O)C(C)C2C3=CC(=C)CCC12C(C)(C)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.634
CB1 binding score: -12.461
InChIKey:XAYUBLSJGVGXCJ-UHFFFAOYSA-N
ID: 54657
SMILES:O(C1C(O)C(O)C(O)C(CO)O1)C(C)(c1c(OC(C)=O)c(OC(=O)C)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.628
CB1 binding score: -14.285
InChIKey:QEWJWSOVEQQTGB-UHFFFAOYSA-N
ID: 54658
SMILES:c1(CCCCC)c(O)c(C)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.735
InChIKey:JKOYKYONQMXHSW-UHFFFAOYSA-N
ID: 54659
SMILES:Oc1c2c(c3c(c1OCCCC)OC(C)(C)C1C2C=C(C)CC1)OCO3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.172
InChIKey:SONACSRCUFRFEZ-UHFFFAOYSA-N
ID: 54660
SMILES:C=C(C)C1C(c2c(O)cc(O)c(C(CC(C)C)=O)c2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -19.167
InChIKey:CFZLDEROOCUHHL-UHFFFAOYSA-N
ID: 54661
SMILES:C1(CO)=CC(O)C2(C(=C)C)CC1c1c(O)cc(C)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -15.214
InChIKey:WMPRFNGOEYNODA-UHFFFAOYSA-N
ID: 54662
SMILES:C1=CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.829
InChIKey:YVPWXENQQXHBCY-UHFFFAOYSA-N
ID: 54663
SMILES:c1c(C=C(C(=C(C(CCC=CC)C)C)C)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.665
CB1 binding score: -15.289
InChIKey:UALHBOCWECHSDS-UHFFFAOYSA-N