ID: 100738
SMILES:c1(Cc2c3c(c(CCCCC)cc2O)C2C(C)(CCC(C(C)C)=C2)O3)cc(O)c(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -13.124
InChIKey:WUXQKIJUCJARSC-UHFFFAOYSA-N
ID: 100739
SMILES:O(c1c(CC=C(CCC=C(C)C)C)c(OC)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -18.913
InChIKey:GDBWRAFIFHBEOL-UHFFFAOYSA-N
ID: 100740
SMILES:C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC=C)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.605
InChIKey:KFXCWYKYUBVCNQ-UHFFFAOYSA-N
ID: 100741
SMILES:c1c(C2(OC)C=C(C)CCC2C(C)C)c(O)cc(CCc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.765
CB1 binding score: -14.899
InChIKey:WALYWPGQHHBRTP-UHFFFAOYSA-N
ID: 100742
SMILES:OC12C(C(C)CCC1C(Oc1c(O)cc(CCCCCCC)cc1O)C(C)(C)O)CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.682
CB1 binding score: -16.547
InChIKey:LHZZYJHWKHOJKK-UHFFFAOYSA-N
ID: 100743
SMILES:C(O)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.634
InChIKey:XATUYSLLQMJNDN-UHFFFAOYSA-N
ID: 100744
SMILES:c1(OC)cc2c(cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.334
InChIKey:WBOMYILSCVRHHE-UHFFFAOYSA-N
ID: 100745
SMILES:c1(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCc2ccc(OC)c(O)c2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.616
InChIKey:XSCUEBDUUSLXMO-UHFFFAOYSA-N
ID: 100746
SMILES:C(CCC)Cc1cc2c(c(O)c1)C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 100747
SMILES:c1(O)c(CC=C(C)CCC(C(C)(C)O)O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -18.15
InChIKey:OWSPBIWYEIHDKZ-UHFFFAOYSA-N
ID: 100748
SMILES:C1(C)(C)C2CCC1(C)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.19
InChIKey:SRRNYTIBHLJXMB-UHFFFAOYSA-N
ID: 100749
SMILES:CC1C(=O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.158
InChIKey:UVSUMQHBUPOPKC-UHFFFAOYSA-N
ID: 100750
SMILES:O1C(CO)C(O)C(=O)C(O)C1Oc1cc(C2C=C(C)CCC2C(=C)C)c(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.519
InChIKey:UKZMDFLMJYBKRD-UHFFFAOYSA-N
ID: 100751
SMILES:c1(CCCCC)c(C2C(C(C)C)CCC(C)=C2)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 284.487
CB1 binding score: -16.029
InChIKey:XIEHECNZAAYPKV-UHFFFAOYSA-N
ID: 100752
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCCCC)c2CCc2ccccc2)CC1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 410.598
CB1 binding score: -15.795
InChIKey:BYOWWQZXLUUFNQ-UHFFFAOYSA-N
ID: 100753
SMILES:C1(=O)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.12
InChIKey:WWLVSYMEQGHRHK-UHFFFAOYSA-N
ID: 100754
SMILES:CC1(C)Oc2c(C(C)=C)cc(O)c(C=O)c2C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.526
InChIKey:NYNYCOGIUODIFG-UHFFFAOYSA-N
ID: 100755
SMILES:CC(C)=CCc1c(O)cc(CCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -19.084
InChIKey:DOQHJUXXWKEFSQ-UHFFFAOYSA-N
ID: 100756
SMILES:C1(C)=CCC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 100757
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)C(c1ccc(O)cc1O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -14.233
InChIKey:NFHNVOJJVXVQMV-UHFFFAOYSA-N
ID: 100758
SMILES:CC12Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C(C1O)C(C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -13.794
InChIKey:YSDZFUCCVLPLMY-UHFFFAOYSA-N