ID: 117034
SMILES:O(C)c1cc(C2C(C(=C)C)CCC(=C)C2)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.439
InChIKey:LQDPIRLJAZYEIC-UHFFFAOYSA-N
ID: 117035
SMILES:C1=CC(=O)C(C)(O)C2C1c1c(O)c(O)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -13.136
InChIKey:KPDVPXCLRJXKNX-UHFFFAOYSA-N
ID: 117036
SMILES:c1(OC2(C(C)C)CCC(C)=CC2)cc(CCCCC)cc(C(O)CC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -15.519
InChIKey:NAEYHDWKCWEZTM-UHFFFAOYSA-N
ID: 117037
SMILES:C1(C)=CC2Oc3c(c(O)cc(CCCCC)c3)C3CC(C(=O)O)CCC23C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.041
InChIKey:ZGSSFSNZUYCUAK-UHFFFAOYSA-N
ID: 117038
SMILES:COc1c(OCC=C(CC2C=C(C(=O)OC)C)OC(=O)CC2C)c(OC)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.594
CB1 binding score: -14.746
InChIKey:QZCONWJDEAPKPL-UHFFFAOYSA-N
ID: 117039
SMILES:CC(C)C1=C(C)C(O)C2=C1C(=O)C1c3c(O)cc(CCCCC)cc3OC1CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -13.501
InChIKey:JVYZXMXHHRYOQE-UHFFFAOYSA-N
ID: 117040
SMILES:O=C1C(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2(C)CCCC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -16.199
InChIKey:OOBYXRVYLUGCQD-UHFFFAOYSA-N
ID: 117041
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 117042
SMILES:C(C1=C(C)C(=O)OC(C)(C)C2CC(=O)CC12)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.963
InChIKey:IYCSHXDTMGMUKF-UHFFFAOYSA-N
ID: 117043
SMILES:C1(C)=Cc2c(O)cc(CCCCC)cc2C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 286.459
CB1 binding score: -16.17
InChIKey:CDHNEHHGHJSFOM-UHFFFAOYSA-N
ID: 117044
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -18.334
InChIKey:XBCSXUYXVCTQRG-UHFFFAOYSA-N
ID: 117045
SMILES:CC12Oc3cc(CCCCC)cc(O)c3C1CC(C(=O)O)CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -16.956
InChIKey:QJYPFZRTOYFZEG-UHFFFAOYSA-N
ID: 117046
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 117047
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C2(C)C(=O)C=C(C(C)CC2=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -13.33
InChIKey:XGOAHYCRLCBHPE-UHFFFAOYSA-N
ID: 117048
SMILES:C1CC2C(C3(O)C1(C)CCC3C(C)C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.13
InChIKey:OXZXNEILJWPFAY-UHFFFAOYSA-N
ID: 117049
SMILES:C(c1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1)(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.898
InChIKey:XMRIUKXJKIRQDI-UHFFFAOYSA-N
ID: 117050
SMILES:O1c2c(c(O)cc(CCC)c2C)CC(=C(C)C)CC=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -13.72
InChIKey:AUIKTXNYDSFWHC-UHFFFAOYSA-N
ID: 117051
SMILES:CC1(C)C23OC(C=C(C)C)CC(C)=CC2C3(Oc2c(CC=C(C)C)c(OC)cc(CCC(=O)O)c2)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -14.746
InChIKey:KUAYSRJYCVCQSF-UHFFFAOYSA-N
ID: 117052
SMILES:C1CC(C)(C)Oc2cc(CCCC)cc(OC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -17.28
InChIKey:GROAGZVBTPSPJT-UHFFFAOYSA-N
ID: 117053
SMILES:c1(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c(O)c(CC(CC=C(C)C)C(=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.265
InChIKey:PTSNMNOIRZWLJT-UHFFFAOYSA-N
ID: 117054
SMILES:C(OCc1c(OC)c(OC)c2c(c1C)C1C=C(C)CCC1C(C)(C)O2)(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.906
InChIKey:YOWWWHSJTVETDA-UHFFFAOYSA-N