ID: 31501
SMILES:O(C(C)=O)C(C(C(CC)C)c1cc(O)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2)(C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -15.526
InChIKey:RWONFOMSMYVJCQ-UHFFFAOYSA-N
ID: 31502
SMILES:Oc1c(=O)c(O)c(C)c(CC2=C(C)CCC3C(C)(CCCC(C)=C)OC(=O)C32)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -13.802
InChIKey:SNQSDTHEVVOUCR-UHFFFAOYSA-N
ID: 31503
SMILES:CC1(CCC=C(C)C)C=Cc2c(cc(CCCCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.554
InChIKey:LNTYZVFALXPSDZ-UHFFFAOYSA-N
ID: 31504
SMILES:CC1(C)C2CC(O)C(C)=CC2c2c(ccc(O)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.086
InChIKey:HTZNOUQOHSVVAH-UHFFFAOYSA-N
ID: 31505
SMILES:C12C(C)(CC=CC1(C)C)Oc1c(c(O)c(CC(CCC=C(C)C)C)c(O)c1)C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.929
InChIKey:OMYOVPQBGYBBDB-UHFFFAOYSA-N
ID: 31506
SMILES:C(=C(C)C)CCC1(C)Oc2cc3c(c(O)c2C1)OC(CO)(C)C=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.074
InChIKey:FYXXDMATOKPWAM-UHFFFAOYSA-N
ID: 31507
SMILES:C1(=O)C(=O)c2c(CCC[N+](O)=O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.419
CB1 binding score: -15.508
InChIKey:AYRAIVQAXOKKKT-UHFFFAOYSA-N
ID: 31508
SMILES:CCCCCCc1cc2c(c(O)c1)C1CC(CO)CCC1(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.259
InChIKey:FWVCMCQJLGQNSU-UHFFFAOYSA-N
ID: 31509
SMILES:COc1c(C(=O)CC(C)C)c2c(c(CC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.832
InChIKey:QYHOJORETVUNQX-UHFFFAOYSA-N
ID: 31510
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)c(C(=O)OC)c(O)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -17.173
InChIKey:CMSCRPIEQPNMOC-UHFFFAOYSA-N
ID: 31511
SMILES:O=c1c(C)c(CCCCC)c2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.591
InChIKey:GSOYQVHDQVYWEJ-UHFFFAOYSA-N
ID: 31512
SMILES:C12(C(C)C)CC=C(C)CC1c1c(O)cc(CCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.27
InChIKey:JKRPMRWVYUHLMP-UHFFFAOYSA-N
ID: 31513
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2c(OC)cc2c1C(O)C(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.671
InChIKey:QSROBPAQRRGSSG-UHFFFAOYSA-N
ID: 31514
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 31515
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(=C)CCC(O)C(C)(O)C)CC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.929
InChIKey:PCNXKBPMLYJQOV-UHFFFAOYSA-N
ID: 31516
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)OC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.167
InChIKey:QYJGHZXOIWLFTA-UHFFFAOYSA-N
ID: 31517
SMILES:C1CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 31518
SMILES:Oc1c(C(C(C)CC)=O)c2c(c(OC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.901
InChIKey:LIILJFGNLAVJEO-UHFFFAOYSA-N
ID: 31519
SMILES:C(Cc1c(CCCCC)cc(O)cc1O)=C(C#CC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -13.48
InChIKey:NTSHMLAHLMKFEC-UHFFFAOYSA-N
ID: 31520
SMILES:C(CCCCc1cc(O)c(C2C(C(C)=C)CC=C(C)C2)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -16.234
InChIKey:VJAZELYKYCKNHH-UHFFFAOYSA-N
ID: 31521
SMILES:CC1(O)CCC(O)(c2cc(CC=C(C)C)c(CCCCC)cc2O)C1C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.905
InChIKey:SGTVRKRRXFDRSG-UHFFFAOYSA-N