ID: 72451
SMILES:C(c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(=O)C1)CC=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -12.89
InChIKey:GTYQHCVZDCZKKI-UHFFFAOYSA-N
ID: 72452
SMILES:C(=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 72453
SMILES:C(C(OC(C1CC(C(=C)C)C(c2c3c([nH]cc3CCCCC)c(CCCN)cc2)C=C(C)C1)Cc1ccccc1)=O)(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 584.801
CB1 binding score: -16.21
InChIKey:ISVHRNZWTKSMRN-UHFFFAOYSA-N
ID: 72454
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.839
InChIKey:UAYYOKYCPZUMPM-UHFFFAOYSA-N
ID: 72455
SMILES:C12CC(C)=CCC1C(C)(C)Oc1c2c(O)ccc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.151
InChIKey:GDMFVEOFVVJWAQ-UHFFFAOYSA-N
ID: 72456
SMILES:C1C(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 72457
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 72458
SMILES:C1C2=C(O)CCC(C(C)=C)C2c2c(O)c(C(OC)=O)c(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.804
InChIKey:UCOLHJYLDBNGCE-UHFFFAOYSA-N
ID: 72459
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CC(OC(=O)C)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.9
InChIKey:XTBDGQPCFGCJFV-UHFFFAOYSA-N
ID: 72460
SMILES:OCC1(C)C2CCC(C)=CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.313
InChIKey:MWKPFUIBSPVIIR-UHFFFAOYSA-N
ID: 72461
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC=C(C)C)(O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.542
InChIKey:GDEDSAVLFOAAJA-UHFFFAOYSA-N
ID: 72462
SMILES:C(=C(C)CCC=C(CC=CC(C)(C)O)C)Cc1c(O)cc(CC)c(C2C=C(C=O)CCC2C(=C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.727
CB1 binding score: -14.057
InChIKey:KXKKWXGTMOCNFG-UHFFFAOYSA-N
ID: 72463
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 72464
SMILES:CC1C(=O)C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.597
InChIKey:LQROZGZXFUAWIS-UHFFFAOYSA-N
ID: 72465
SMILES:C1(C)(C)CCCC(=C)C1Cc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.103
InChIKey:CJJWMRSOBWSKAQ-UHFFFAOYSA-N
ID: 72466
SMILES:C12c3c(cc(CCCC(C)O)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.565
InChIKey:SYXCTKNTNBKDQG-UHFFFAOYSA-N
ID: 72467
SMILES:c1(O)cc(CCCCC)cc(O)c1C1CC(C)C2CCC(C)=CC2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.982
InChIKey:SQJPSOPHIWXUQD-UHFFFAOYSA-N
ID: 72468
SMILES:c12c3c(cc(C)c1-c1c(O)c(C(=O)O)c(CCC)cc1O)OC(C)(C)C1C3C(C(C)C)(C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -16.015
InChIKey:FIPTWOUAHSWKTP-UHFFFAOYSA-N
ID: 72469
SMILES:C1(C)(C)c2c(cc(C)c(O)c2)-c2c(c(CCCCC)cc(OC)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.787
InChIKey:FULJEUSLNDXHED-UHFFFAOYSA-N
ID: 72470
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C(C)CC(O)C1C(O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.454
CB1 binding score: -16.502
InChIKey:PDGWMQCBKQSVBR-UHFFFAOYSA-N
ID: 72471
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N