ID: 40048
SMILES:C(C)(=CC(OC1CC=C(C)CCC2C(C)(C)Oc3c(c4c(cccc4)cc3)C1C2(C)C)=O)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -15.174
InChIKey:LMTHQUBZBYCAEZ-UHFFFAOYSA-N
ID: 40049
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 40050
SMILES:c1c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 40051
SMILES:c1(O)ccc2c(c1Cl)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.779
CB1 binding score: -15.046
InChIKey:OEVXRODXPJMJQK-UHFFFAOYSA-N
ID: 40052
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.335
InChIKey:PUTOVGFPNYEMJD-UHFFFAOYSA-N
ID: 40053
SMILES:CC(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.015
InChIKey:ZHQBRVAMZGSWGZ-UHFFFAOYSA-N
ID: 40054
SMILES:c1(-c2oc(=O)c(C(C(CC)C)=O)c(O)c2)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: -15.929
InChIKey:MKIBLYGTIHHWGU-UHFFFAOYSA-N
ID: 40055
SMILES:C(C(C)=CCCC1(C)Oc2cc(CCC)cc(O)c2C=C1)CCC(C(=O)O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -14.443
InChIKey:YGXLHOVWKUXJBK-UHFFFAOYSA-N
ID: 40056
SMILES:CC1(C)Oc2cc(CCCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 40057
SMILES:C1(COC(CC)=O)=CCCC(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.06
InChIKey:IFOGWHSSWJVMQC-UHFFFAOYSA-N
ID: 40058
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)CO)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.94
InChIKey:HENAIHQRFCUZAL-UHFFFAOYSA-N
ID: 40059
SMILES:C(C)(CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2O)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -14.45
InChIKey:HHNCYNMKRUCNSU-UHFFFAOYSA-N
ID: 40060
SMILES:c1(C(=O)c2c3c(C)ccc(C(C)C)cc-3c(C)c2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.637
CB1 binding score: -16.609
InChIKey:XOQSPPPAVBISCN-UHFFFAOYSA-N
ID: 40061
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C=C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.725
InChIKey:PUIGOVNDILJOAK-UHFFFAOYSA-N
ID: 40062
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(O)(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 40063
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(C(CC(C)C)=O)c3O)C2(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.553
InChIKey:HPNADLFBCDCHEK-UHFFFAOYSA-N
ID: 40064
SMILES:C(c1cc(O)c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.119
InChIKey:BEZBBSGWQXJPJV-UHFFFAOYSA-N
ID: 40065
SMILES:C1(CO)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 40066
SMILES:C123c4c(cc(CCCCC)cc4O)OC(C)(C)C1CCC2(C)C(O)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.854
InChIKey:TWQJTAXZKLAVRN-UHFFFAOYSA-N
ID: 40067
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1C(C(C)(C)O)CCC(O)(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.772
InChIKey:JLYIGXZJNRMYCO-UHFFFAOYSA-N
ID: 40068
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(CC1OC(=O)C(O)(C)C1O)C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -13.874
InChIKey:HVUMUHZTMYOIHT-UHFFFAOYSA-N