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Molecule Identifiers
Molecular Properties

ID: 126106

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(OC)cc(OC)c(C)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.09

InChIKey:
WFJOQMJIFJZLDH-UHFFFAOYSA-N

ID: 126107

SMILES:
c12cc(O)c(C)cc1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.842

InChIKey:
ALXZHGACBCVUPW-UHFFFAOYSA-N

ID: 126108

SMILES:
c12c(c(CCCCC)cc(O)c1OC)CCC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -13.835

InChIKey:
AFLIDXACJZOGFS-UHFFFAOYSA-N

ID: 126109

SMILES:
C1CCC(C)C2Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.666

InChIKey:
KMIGCSIUHBQIRG-UHFFFAOYSA-N

ID: 126110

SMILES:
C(C1C(OC2Oc3c(c4c(cc3)cc(C)cc4O)C(O)C3C(C)(C)OC(C)(C)C23)OC(=O)C1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.6

CB1 binding score: -11.712

InChIKey:
YRACOHNCWZUHEF-UHFFFAOYSA-N

ID: 126111

SMILES:
C(c1c(O)cc(CCCCC)cc1OC)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 126112

SMILES:
C1(C)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.395

InChIKey:
KCFUKRVIVSAJDP-UHFFFAOYSA-N

ID: 126113

SMILES:
c1(C=C(C(C2=CCC(C)(C)CC2=O)C)CCC(O)C)c(O)cc(C)cc1O[CH]

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -13.841

InChIKey:
JCPBZCSSFAFGJY-UHFFFAOYSA-N

ID: 126114

SMILES:
C12(C)Oc3c(C(c4c(O)cc(CCCCC)cc4OC)C1)C(=O)C(OC2)CC(C)(C)C=C(O)C(=O)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.616

CB1 binding score: -12.885

InChIKey:
LFMSPNJNRSNCCI-UHFFFAOYSA-N

ID: 126115

SMILES:
C1(C(=O)OC)C(=O)C2C(C(C)(C)Oc3cc(C)ccc32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -12.83

InChIKey:
WPSBEBCTAPGSER-UHFFFAOYSA-N

ID: 126116

SMILES:
c1(O)cc(CCCCC)cc(O)c1C1C=C(C)C(OC(C)=O)CC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -18.014

InChIKey:
UPGHLBTWHYRBNS-UHFFFAOYSA-N

ID: 126117

SMILES:
C(C)(=CCO)CCC=C(C)Cc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.06

InChIKey:
WPZCHSBDMSFQQM-UHFFFAOYSA-N

ID: 126118

SMILES:
OC1(C)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -17.354

InChIKey:
UNLFZSQAOQBPOQ-UHFFFAOYSA-N

ID: 126119

SMILES:
C(=CCCC1=CCC(c2cc(O)c(CC=C(CCC=C(C)C)C)c(O)c2)C(=O)O1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.074

InChIKey:
BNHWQXYBSCYYDD-UHFFFAOYSA-N

ID: 126120

SMILES:
CC1(C)C(O)C2c3c(cc(CCCCC)cc3O1)OC(=O)C2CC(=O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -16.749

InChIKey:
PSBHGAKSSYRKHZ-UHFFFAOYSA-N

ID: 126121

SMILES:
C(C)(C)=CCCC1(C)OC1Cc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.05

InChIKey:
XRQGOISNAXRYET-UHFFFAOYSA-N

ID: 126122

SMILES:
O(Cc1cc(O)c2c(c1)OC(CO)(C)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 252.31

CB1 binding score: -13.91

InChIKey:
QQBHJGWHDXUBJA-UHFFFAOYSA-N

ID: 126123

SMILES:
CC(c1c2c(c(O)c(C)c1)C1CC(C)=CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.929

InChIKey:
YYRLLEHQARXJMA-UHFFFAOYSA-N

ID: 126124

SMILES:
c1(C#CC(C)=C)c(OC)cc(CCCCC)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.468

InChIKey:
BRPAEPXMVDTEQP-UHFFFAOYSA-N

ID: 126125

SMILES:
CC1=CCC2C1c1c(cc(OC)c(C)c1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -14.563

InChIKey:
SENWMRTWDFDXJF-UHFFFAOYSA-N

ID: 126126

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.98

InChIKey:
UNZGFXDDRCWUGX-UHFFFAOYSA-N

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126106–126126 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties