ID: 6763
SMILES:CC1=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.347
InChIKey:AITIPLSNMGATGJ-UHFFFAOYSA-N
ID: 6764
SMILES:C12(C=O)CC13C(CCC2C)C(C)(C)Oc1cc(CCCCC[N+](C)(C)C)ccc1O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.61
CB1 binding score: -14.187
InChIKey:WLIZZCYZJURVCO-UHFFFAOYSA-N
ID: 6765
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 6766
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.083
InChIKey:PRISDTJMCYUMEO-UHFFFAOYSA-N
ID: 6767
SMILES:CC(=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 6768
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(O)cc(CCCCC)c3-c3ccc(O)c(c32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.549
CB1 binding score: -16.105
InChIKey:AJZCATGDLAUNRV-UHFFFAOYSA-N
ID: 6769
SMILES:C(C(=CCc1c(O)cc(CCC)cc1O)C)C=CC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.412
InChIKey:BTOBCSBNWDHYQM-UHFFFAOYSA-N
ID: 6770
SMILES:C1C(O)C(C)(C)Oc2cc(CCCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -14.864
InChIKey:XSBHCKCHRKVXOB-UHFFFAOYSA-N
ID: 6771
SMILES:c1c(C)cc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.213
InChIKey:ABQUTLCPMMOSHA-UHFFFAOYSA-N
ID: 6772
SMILES:C(C)CCCCc1cc2c(c(O)c1)CC1C(C)(O2)CCC(C(=C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.015
InChIKey:ZGABLUHWEKECEK-UHFFFAOYSA-N
ID: 6773
SMILES:c1(C(O)C(C(O)(C)C)O)cc(O)c(C2CC(C)=CC(C)(C)C2CCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -16.174
InChIKey:WZWDMBLHTKACHI-UHFFFAOYSA-N
ID: 6774
SMILES:C1CC(C)C2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.748
InChIKey:KVIUZCORYUKBDQ-UHFFFAOYSA-N
ID: 6775
SMILES:CC1CCOc2cc(CCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -15.097
InChIKey:ABYUYHBCYHYXAJ-UHFFFAOYSA-N
ID: 6776
SMILES:C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.27
InChIKey:JNUWKSNIBRJTBP-UHFFFAOYSA-N
ID: 6777
SMILES:Oc1cc(CCC)cc2c1C1CC(C)(O2)CCC1C(C)(OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.988
InChIKey:XGZXZPGSLICEKC-UHFFFAOYSA-N
ID: 6778
SMILES:C(CCO)c1c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.506
InChIKey:FLGHYJAWYYFYRZ-UHFFFAOYSA-N
ID: 6779
SMILES:C(CCc1ccccc1)c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -16.123
InChIKey:UXCBHRVBFZFUKA-UHFFFAOYSA-N
ID: 6780
SMILES:O=C(c1c2c(cc(C)c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.959
InChIKey:OVGKGORKKXHDDG-UHFFFAOYSA-N
ID: 6781
SMILES:C(CCCc1cc2c(c(O)c1)-c1c(cc(C)cc1O)C(C)C2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -14.648
InChIKey:AYHCGHSZFXVVDN-UHFFFAOYSA-N
ID: 6782
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)C)CCC(C(O)=O)=CC1CC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 396.571
CB1 binding score: -14.743
InChIKey:AHGMIFPYDUFSEC-UHFFFAOYSA-N
ID: 6783
SMILES:CCC=CC(=O)OCCC(C)c1c(O)c(=O)c2c(c(O)c1C(=O)C(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.643
CB1 binding score: -15.098
InChIKey:TXVUJOQNIYWKGN-UHFFFAOYSA-N