ID: 46096
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: 46097
SMILES:O(C(=O)C)c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.166
InChIKey:WPRGTCVOBXQUHO-UHFFFAOYSA-N
ID: 46098
SMILES:C(Cc1c(O)cc(CCCCC)cc1OC(C)=O)=CC(CCC=C(C)CCC=C(C)C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -16.502
InChIKey:LFUYYWBGWBJUST-UHFFFAOYSA-N
ID: 46099
SMILES:Oc1c(C=O)c(CCCCC)cc2c1C1C(CC=C(C)C1=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.808
InChIKey:WFEFZEUBNOWOAT-UHFFFAOYSA-N
ID: 46100
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 46101
SMILES:O1c2c(c(O)cc(O)c2C(=O)C(CC)C)C2CC(C)=CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.604
InChIKey:VWTHNNZUPUPSLT-UHFFFAOYSA-N
ID: 46102
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CCCCC)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.517
InChIKey:GRTMBCSOABNFIT-UHFFFAOYSA-N
ID: 46103
SMILES:C1c2cc(c(O)cc2CCCCC)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -13.768
InChIKey:ZCIVCINQZWDSFI-UHFFFAOYSA-N
ID: 46104
SMILES:COc1c(O)c(CC=C(CCC=C(C)C)C)c(O)c2c1C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.506
InChIKey:KDYMOOHAOIXLFD-UHFFFAOYSA-N
ID: 46105
SMILES:C(=O)C1=CC2C(C(C)(C)Oc3c(C(C)CC)c(O)c(O)c(C)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.572
InChIKey:MLLCOCQSVREDAJ-UHFFFAOYSA-N
ID: 46106
SMILES:c1c(O)c(C(=C)C)c(C2C(C(=C)C)CCC(C)=C2)cc1C(C)(CCCC(C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.129
InChIKey:ORCTVXOSQFUSLA-UHFFFAOYSA-N
ID: 46107
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.123
InChIKey:XTHJHHRKYPIOTH-UHFFFAOYSA-N
ID: 46108
SMILES:O=C(c1c2c(c(O)c(C3C=C(C)CCC3C(C)=C)c(O)c2)oc(=O)c1CCCCCCC)OC
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Simple coumarins
MW: 468.59
CB1 binding score: -16.962
InChIKey:XFIPXZWAQGRTPL-UHFFFAOYSA-N
ID: 46109
SMILES:CC1(C)Oc2c(c(O)cc(CC)c2)C2=C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.334
InChIKey:JPRZXGNNHQJCRH-UHFFFAOYSA-N
ID: 46110
SMILES:C(C1C(C)(C)Oc2cc(CCCC(O)C)cc(O)c21)CC(O)(C)CCCC(O)(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.725
CB1 binding score: -12.344
InChIKey:AMIWRMZXRVPJRT-UHFFFAOYSA-N
ID: 46111
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)C(O)CC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.9
InChIKey:PLEPLFRUHVXEGP-UHFFFAOYSA-N
ID: 46112
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 46113
SMILES:C1(Cc2c(O)cc(CCCCC)cc2O)=C(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.502
InChIKey:BXSAWMQNDRARAR-UHFFFAOYSA-N
ID: 46114
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 46115
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)c1ccc(C)c-1c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -15.934
InChIKey:GOBWUOASBNJOGF-UHFFFAOYSA-N
ID: 46116
SMILES:C1(O)Oc2cc(CCCCC)cc(O)c2C2CCC(C)=CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.637
InChIKey:SLMGOXRTKRMIKU-UHFFFAOYSA-N