ID: 98008
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(OC)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 98009
SMILES:O(CC(C)C)c1c(CCCCC)cc2c(c1O)C1C(C(OC(C)=O)(C)C)C(=O)CC(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -15.264
InChIKey:BVAHUUMLFSXPFC-UHFFFAOYSA-N
ID: 98010
SMILES:c12c(c(CCCCC)cc(O)c1)OC1(CCC3C(C)(C)C3C=C1CO)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.605
InChIKey:NLHRGWVFGKISFD-UHFFFAOYSA-N
ID: 98011
SMILES:CC1CCC(O)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.232
InChIKey:JUOPZGHCRBDLSE-UHFFFAOYSA-N
ID: 98012
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 98013
SMILES:c12c(cc(CCCCC)cc1O)OC1(C(C)C(O)C(C=C(C)C)O1)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.605
InChIKey:OURGZARNIXNQFL-UHFFFAOYSA-N
ID: 98014
SMILES:O=C1c2cc(CC=C(C)C)c(CCCCC)cc2OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.704
InChIKey:IFUSYLFUCXGDIQ-UHFFFAOYSA-N
ID: 98015
SMILES:CC(OCC1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.929
InChIKey:UQNCODBDSWDEIO-UHFFFAOYSA-N
ID: 98016
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.691
InChIKey:ZBBXHJRPBQMOEE-UHFFFAOYSA-N
ID: 98017
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 98018
SMILES:C(OC(c1cccc(CC(=O)O)c1)=O)c1c2c(c(O)c(C(O)(C)CCCC(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.718
CB1 binding score: -15.996
InChIKey:AAZRSZLVGNFBAO-UHFFFAOYSA-N
ID: 98019
SMILES:C1CC(C)(C)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 98020
SMILES:C12C(=C(C)C)CCC1(C(C)=C)c1c(cc(CCCCCO)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.807
InChIKey:HTUFFDHCAMHKHJ-UHFFFAOYSA-N
ID: 98021
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98022
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C)(OC)C(C)(C)C(=C1O)C(O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -17
InChIKey:QQXOFIREHFHOEN-UHFFFAOYSA-N
ID: 98023
SMILES:C1C(O)(C)C(O)(c2c(O)cc(CCCCC)cc2O)C(O)C2C1OC(=O)C2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.448
CB1 binding score: -15.929
InChIKey:GVBDMMNZWSDFFB-UHFFFAOYSA-N
ID: 98024
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 98025
SMILES:C(c1c(CC2(O)CC(C)(C)CCC2)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)c1ccoc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -12.14
InChIKey:MORMPYLYNBEXRM-UHFFFAOYSA-N
ID: 98026
SMILES:C=C(C1CCC(C)(Oc2cc(CCCCC)cc(O)c2)C2C1CC(=C)CC2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.488
InChIKey:RTMUDNFZUYOSDO-UHFFFAOYSA-N
ID: 98027
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 98028
SMILES:O(C(=O)C)CC(C1C2CC(C)(Oc3c(C(=O)C(CC)C)c(OC)cc(C)c32)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.076
InChIKey:MQOXZRWCOVMFRZ-UHFFFAOYSA-N