ID: 88894
SMILES:C(CCC)CCCCCCCCCc1cc2c(c(O)c1)CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.581
CB1 binding score: -15.495
InChIKey:SRIVXSXVYOZLIQ-UHFFFAOYSA-N
ID: 88895
SMILES:CCCCCc1c(C(OC)=O)c(O)c2c3c(cc(C)cc21)OC(CCC=C(C)C)(C)C(O)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.103
InChIKey:RBWNSYDAKAUIHX-UHFFFAOYSA-N
ID: 88896
SMILES:C(CCCC)CCCC=CCCCCCCCCCc1c(O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.83
CB1 binding score: -16.029
InChIKey:FSCSLYQJHURVGG-UHFFFAOYSA-N
ID: 88897
SMILES:c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 88898
SMILES:CC1(O)CCC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.373
InChIKey:FEMXPIZSXYZIQN-UHFFFAOYSA-N
ID: 88899
SMILES:CC1(C)CC2c3c(cc(CCCCC)c(C(=O)OC)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.559
InChIKey:PHKUGZCIWCREOR-UHFFFAOYSA-N
ID: 88900
SMILES:C1C(=O)C(C)C23C(C(CO)(CO)OC12)c1c(cc(C)cc1O)OC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.368
CB1 binding score: Not available
InChIKey:MQDYFXQFDPDKOZ-UHFFFAOYSA-N
ID: 88901
SMILES:C1(C(C)C)C(O)C(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.75
InChIKey:YIQOZZPLWHWAGX-UHFFFAOYSA-N
ID: 88902
SMILES:C1C(C)CCC(O)C(C)(C)Oc2cc(CCCCC)c(O)c(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.472
CB1 binding score: -18.096
InChIKey:VBKBNJAUBJWBTH-UHFFFAOYSA-N
ID: 88903
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 88904
SMILES:c1(O)c(C2C=C(C)CCC2C(C)C)c(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.541
InChIKey:SJTNGFZZZXOYSC-UHFFFAOYSA-N
ID: 88905
SMILES:C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.39
InChIKey:LMFHZSDFXYYYTF-UHFFFAOYSA-N
ID: 88906
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(OC)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -17.487
InChIKey:BNJHCACCSFIDDL-UHFFFAOYSA-N
ID: 88907
SMILES:C(CCCC(=O)OCc1cc(O)c2c3c1OC(C)(C)C2C3)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -13.468
InChIKey:BSZOWZXCSYWEHC-UHFFFAOYSA-N
ID: 88908
SMILES:Oc1cc(CCCCC)c(C(=O)O)c2c1C1C(C(C)(C)O2)CC(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.279
InChIKey:QQUMBBBQIXRZQG-UHFFFAOYSA-N
ID: 88909
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(c1ccccc1O)C(O)C2O
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Flavandiols (Leucoanthocyanidins)
MW: 344.407
CB1 binding score: -16.022
InChIKey:ISYHCXLNFFBDRI-UHFFFAOYSA-N
ID: 88910
SMILES:CC1(C)Oc2c(c(O)cc(CCC(=O)C=CCCCCC)c2)C2CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.475
InChIKey:QEKLXNGYYVIKTG-UHFFFAOYSA-N
ID: 88911
SMILES:Cc1cc2c(cc1)-c1c(cc(CCCCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -14.031
InChIKey:CXMQHDDGIXLSRQ-UHFFFAOYSA-N
ID: 88912
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(CCC(CCC4C(C)(C)O4)C)cc3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.779
InChIKey:OBSRUPPZMROZIH-UHFFFAOYSA-N
ID: 88913
SMILES:O(c1c(C)cc2c(c1)CC1C(C(C)(C)O2)CC=C(C)C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.845
InChIKey:XXQPEISGYQBRHS-UHFFFAOYSA-N
ID: 88914
SMILES:O1C2C(C(O)(C)C)CC3C4C=C(C)CC(c5cc(CCCCC)cc(O)c54)OC(O)(C)C3CC2=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -14.694
InChIKey:RNSZCKGVGOYPPN-UHFFFAOYSA-N