ID: 94858
SMILES:CC(=CC1CCC2(C)Oc3c(c(OC)cc(CCCCC)c3)C(=O)C21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.181
InChIKey:CQTYZSXOQKOVSQ-UHFFFAOYSA-N
ID: 94859
SMILES:C1C(C(C)=C)C(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 94860
SMILES:Cc1c(Br)c(O)c2c(c1O)c(C(CCCC(C)(O)C)C)c(O)c(C1C=C(C)CCC1C(=C)C)c2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 547.53
CB1 binding score: -13.66
InChIKey:VBASRCYNCOPERW-UHFFFAOYSA-N
ID: 94861
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 94862
SMILES:C(=CCc1c(O)c(CC=C(C)C)cc(CCCCC)c1)(C)C=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.613
InChIKey:QDNUHBOGBVBCGW-UHFFFAOYSA-N
ID: 94863
SMILES:c1(O)cc2c(cc1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -20.48
InChIKey:YHVSUBRHUHWIPQ-UHFFFAOYSA-N
ID: 94864
SMILES:C1C(CCC=C(C)C)(C)Oc2c(cc(O)c(C(C3C(C=O)C(C)C(C)C3)C)c2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.442
InChIKey:YVBKPDXAYQMFKP-UHFFFAOYSA-N
ID: 94865
SMILES:OC12CCC(C)C1(O)COc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: Not available
InChIKey:KKRNNBLNMGKWPB-UHFFFAOYSA-N
ID: 94866
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 94867
SMILES:C(CCO)C1=C(C)C23C(C(C)(C)CC1)CCC2(C)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -15.729
InChIKey:QTGPJXHHOPCODP-UHFFFAOYSA-N
ID: 94868
SMILES:C#CC(O)Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)C1C32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.929
InChIKey:OVHOKEQFUZLBJO-UHFFFAOYSA-N
ID: 94869
SMILES:C(=C(C)C)CC1C(O)c2c(cc(CCCCC)cc2O)OC1(C=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.141
InChIKey:IVLNKPKPUWLCHA-UHFFFAOYSA-N
ID: 94870
SMILES:[N+]1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.465
CB1 binding score: -13.82
InChIKey:BKUPEQMIZQVGDN-UHFFFAOYSA-O
ID: 94871
SMILES:C(C(O)(C)C)c1c2c(c(O)cc1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.946
InChIKey:RBXWGVMSKBBARA-UHFFFAOYSA-N
ID: 94872
SMILES:c1c(C=O)cc(OCC)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.014
InChIKey:DMFZFMLFBZEKCP-UHFFFAOYSA-N
ID: 94873
SMILES:C(C(C(C)(C)O)O)CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -17.792
InChIKey:IYHHISBMYUVEMX-UHFFFAOYSA-N
ID: 94874
SMILES:O(C)c1c2c(cc(CCCCC)c1O)OC1(C(=C)C)C(=C(C)C(=O)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.307
InChIKey:MOBJJJXKIFNSAU-UHFFFAOYSA-N
ID: 94875
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94876
SMILES:c1(O)c(C)c(O)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.335
InChIKey:OANRDWLZYAFXPK-UHFFFAOYSA-N
ID: 94877
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 94878
SMILES:COc1c(CCCCC)cc(OC)c2c1OC1(C)CCC=C(C)CCC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.547
InChIKey:FNFMRPPRUBBVLG-UHFFFAOYSA-N