ID: 111679
SMILES:C1C(C)C2C(O)(c3c(O)c(O)c(-c4ccc(CCCCC)cc4O)cc3OC(C)(C)C2O)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -16.409
InChIKey:XHRLZNBBHPDSLC-UHFFFAOYSA-N
ID: 111680
SMILES:C1(C)=CC(C=C(CO)C)C(c2c(O)cc(CCCCC)cc2O)C(C)(C)C1C=CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.333
InChIKey:FVASUXUMFHRUMG-UHFFFAOYSA-N
ID: 111681
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 111682
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCC)cc2O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.527
InChIKey:RKRAEFIVMMUGRB-UHFFFAOYSA-N
ID: 111683
SMILES:c1(O)c(C(O)=O)c(CCC(C)C)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.25
InChIKey:XHWWLUPQSAGDAJ-UHFFFAOYSA-N
ID: 111684
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3(C)C(C=CC2=C1)C(C)(C)CCC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -12.478
InChIKey:YYJDTAIMIUECIR-UHFFFAOYSA-N
ID: 111685
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 111686
SMILES:C1CC2(O)C(C(=O)OC)COC3C2C1(C)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -13.931
InChIKey:MIFUVHRXMLIBTI-UHFFFAOYSA-N
ID: 111687
SMILES:C(CC=C(C)C)C(C)(CCc1c(O)cc(CCCCC)cc1O)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 376.537
CB1 binding score: -15.571
InChIKey:DWTCYGBBCGSILU-UHFFFAOYSA-N
ID: 111688
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1c2ccc(O)c1)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.012
InChIKey:SOGJJMQMWIOIDC-UHFFFAOYSA-N
ID: 111689
SMILES:C1=CC(C)(C)Oc2ccc(CCCCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -13.306
InChIKey:PKKCILZPXMUYMB-UHFFFAOYSA-N
ID: 111690
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.3
InChIKey:DSHKNISXTYOVRB-UHFFFAOYSA-N
ID: 111691
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -19.037
InChIKey:WOUJHLUSTPDGBC-UHFFFAOYSA-N
ID: 111692
SMILES:CC1=CCC(C)(C)C=CCC2(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.048
InChIKey:FIALDDFDTCMVEE-UHFFFAOYSA-N
ID: 111693
SMILES:C1C(c2c(O)cc(CCCCC)cc2OC)C(C(C)(C)OC)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.553
CB1 binding score: -15.621
InChIKey:QKCBFXYVMKQVBN-UHFFFAOYSA-N
ID: 111694
SMILES:O=C(Oc1cc(CCC)cc(O)c1C1C=C(C)C(=O)O1)CCCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -12.976
InChIKey:MJJMNPGMNHFCQQ-UHFFFAOYSA-N
ID: 111695
SMILES:C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.691
InChIKey:ZBBXHJRPBQMOEE-UHFFFAOYSA-N
ID: 111696
SMILES:C(CCCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:NZUUGMLOXJAJLR-UHFFFAOYSA-N
ID: 111697
SMILES:CC1(C)Oc2cc(O)c(C(CC(C)C)=O)c(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.53
InChIKey:NROYKMSGPAXRQS-UHFFFAOYSA-N
ID: 111698
SMILES:c1c(O)c(C)cc2c1C1C(C(C)(C)O2)CCC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 272.388
CB1 binding score: -16.978
InChIKey:IHKFWARWWVKDQT-UHFFFAOYSA-N
ID: 111699
SMILES:C12(C)CCC3(C)CCC(C(C(O)=O)C)C3C1Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.458
InChIKey:VNYOOHHOEOQVSP-UHFFFAOYSA-N