ID: 53110
SMILES:O1C(CO)C(O)C(O)C(O)C1Oc1c(CC=C(CCC=C(C)C)C)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.653
CB1 binding score: -16.779
InChIKey:QCPJPBXGHAORSH-UHFFFAOYSA-N
ID: 53111
SMILES:CC1C23C(C(C(C)=C)CC1)Oc1c(c(O)cc(CCCCC)c1)C2=CC(=C)C(O)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.446
InChIKey:NKMSZXIZIPHNPW-UHFFFAOYSA-N
ID: 53112
SMILES:C1=C(C)CCC2C(C1C(C)(O)C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.481
InChIKey:SRKURPLWBOWSOX-UHFFFAOYSA-N
ID: 53113
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 53114
SMILES:O1C(CO)C(O)C(O)C(OC(=O)C)C1OC(=O)c1c(CCCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.684
CB1 binding score: -14.934
InChIKey:SBJPLQKQDZNUSU-UHFFFAOYSA-N
ID: 53115
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 53116
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -16.615
InChIKey:GNYDDYAATAGGQG-UHFFFAOYSA-N
ID: 53117
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.025
InChIKey:LGUSYWICBLDWRV-UHFFFAOYSA-N
ID: 53118
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 53119
SMILES:ClC1=CC2C(C1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.859
CB1 binding score: -14.162
InChIKey:FBNPCGOBHVSGKS-UHFFFAOYSA-N
ID: 53120
SMILES:C1CC2(C)Oc3c(c(OC)cc(CCCCC)c3)CC2C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.738
InChIKey:DJNAMDKZRPWGEP-UHFFFAOYSA-N
ID: 53121
SMILES:CCCCCc1cc2c(cc1O)CC1(O2)C(C)CC(=O)C(C(=CC(OC)=O)C2(C)CCC(CO)=CC2)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -16.147
InChIKey:BJTCUFQVJMRCRE-UHFFFAOYSA-N
ID: 53122
SMILES:C12C(C)(C)C1CCC(C)C21Oc2c(c(O)c(C(O)=O)c(CCCCC)c2)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -14.675
InChIKey:PYGIZPSRNORUMQ-UHFFFAOYSA-N
ID: 53123
SMILES:C1C(C)(CCC(C(C(OC)=O)=C)=C)Oc2cc(CCCCC)c(C(OC)=O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -16.015
InChIKey:CRQTYGYUQJYCDF-UHFFFAOYSA-N
ID: 53124
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C[CH]C(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.607
CB1 binding score: -14.239
InChIKey:IVQICQQYCBGGRD-UHFFFAOYSA-N
ID: 53125
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 53126
SMILES:CCCCCc1c(C(=O)O)c(O)c2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.901
InChIKey:NABKATBZDUSFPZ-UHFFFAOYSA-N
ID: 53127
SMILES:c1(C2COc3cc(CCCC(O)C)ccc32)cc(C(C)C)c(N)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.506
CB1 binding score: -13.854
InChIKey:MOEOZEWLNFTPFG-UHFFFAOYSA-N
ID: 53128
SMILES:c12c(C)c(O)c(C)c(CCc3ccc(O)c(O)c3)c1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -15.081
InChIKey:MBWGKPYKHFNKKT-UHFFFAOYSA-N
ID: 53129
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(CCCCCCC=C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.297
InChIKey:OMVTVSSNBRLQSW-UHFFFAOYSA-N
ID: 53130
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)c2c(c1)C(=O)C(OC)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.39
CB1 binding score: -15.579
InChIKey:SLNKTKOMTVTBBY-UHFFFAOYSA-N