ID: 92443
SMILES:C1(C)(C)C(OC)c2c(cc(CCCCC)cc2O)C2=C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.998
InChIKey:ZPNKRAFUMJGGDJ-UHFFFAOYSA-N
ID: 92444
SMILES:CC=C(C(=O)OC1C(C)(C)CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -15.598
InChIKey:YDEVBAJOVWYASC-UHFFFAOYSA-N
ID: 92445
SMILES:C1CC(C)C2=C(C(C)(C)Oc3cc(CCC)cc(O)c32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.547
InChIKey:ILZZJYWAKZMAHV-UHFFFAOYSA-N
ID: 92446
SMILES:C(CCCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)C2C=C(C)CCC2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.62
InChIKey:JCFRXRKZFCRJCF-UHFFFAOYSA-N
ID: 92447
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C1CC=C(C)CC1)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.67
InChIKey:IFJMIXHSKJPHGD-UHFFFAOYSA-N
ID: 92448
SMILES:O1CC2C(=C)CCC3C(C)(C)C(=C1C(=O)c1c(O)cc(CCC)cc1O2)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.695
InChIKey:JECAXCCNYXYGFQ-UHFFFAOYSA-N
ID: 92449
SMILES:C1(C)(CO)C2C3(CCC1)Oc1cc(CCCC[N+](C)(O)C)cc(C)c1C2CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.572
CB1 binding score: -17.166
InChIKey:XLESHSDQFXFPQT-UHFFFAOYSA-N
ID: 92450
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 92451
SMILES:C12(C)OC1CC1(c3c(cc(CCCCC)cc3O)OC1(C)C)C(OC(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.503
InChIKey:DMXKSHIQYCYIHS-UHFFFAOYSA-N
ID: 92452
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 92453
SMILES:O(Cc1c(O)c2c(c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.45
InChIKey:LOHBFBWOGARQCE-UHFFFAOYSA-N
ID: 92454
SMILES:C(=CC)(C)C(Oc1cc(CCCCC)ccc1C1(C)OC2(C)CCC1CC2C(=C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.474
InChIKey:UDUKENIYIKBQQZ-UHFFFAOYSA-N
ID: 92455
SMILES:O1C2(CCCC1(C)C)Oc1c(c(O)cc(CCCC)c1)C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.502
InChIKey:FRZOBYPCODXSSI-UHFFFAOYSA-N
ID: 92456
SMILES:c1(OC)c2c(cc(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.863
InChIKey:WHDAFDHUJCLHDY-UHFFFAOYSA-N
ID: 92457
SMILES:OC1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.681
InChIKey:UPBYCAAHRNKPBA-UHFFFAOYSA-N
ID: 92458
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 92459
SMILES:C(c1c(O)c(=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.841
InChIKey:SWRSYLAADXQFDE-UHFFFAOYSA-N
ID: 92460
SMILES:C1=C(C)CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.145
InChIKey:BFXUWPNFXGQIER-UHFFFAOYSA-N
ID: 92461
SMILES:O=C(OCC1=Cc2cc(C(O)=O)c(CCCCC)cc2OC2(C)C(C(C)(C)CCC2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.519
InChIKey:NETAPHHXMHAAFX-UHFFFAOYSA-N
ID: 92462
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)CCC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -11.815
InChIKey:PUSAOICWVPZQKH-UHFFFAOYSA-N
ID: 92463
SMILES:C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.174
InChIKey:CJRHYYRYCGLADH-UHFFFAOYSA-N