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Molecule Identifiers
Molecular Properties

ID: 121150

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 121151

SMILES:
c1cc(CCCCC)c(C=O)c2c1c1c(cc(CCCCC)cc1OC(C)=O)CC2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.658

CB1 binding score: -12.882

InChIKey:
DOMGNEVVCHWWOB-UHFFFAOYSA-N

ID: 121152

SMILES:
O(C(=O)NC)C(c1c(C2C(C(=C)C)CCC(C)=C2)c(OC)cc(CCNC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.563

CB1 binding score: -15.477

InChIKey:
RWOZZUKVATZKFL-UHFFFAOYSA-N

ID: 121153

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -16.589

InChIKey:
MNCVENMUZFNBND-UHFFFAOYSA-N

ID: 121154

SMILES:
c1c(C(C)=O)cc(OC)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.476

InChIKey:
HXFAXZSUGKYTOF-UHFFFAOYSA-N

ID: 121155

SMILES:
C12CC=C(C=O)C(O)C1c1c(cc(CCCCC)cc1OC(C)=O)OC(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -12.888

InChIKey:
WBWATENKNOPNMJ-UHFFFAOYSA-N

ID: 121156

SMILES:
CC1(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: 121157

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC1(C)CCC3C(CC)(C)C3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.883

InChIKey:
UUIOABBTRUFYFK-UHFFFAOYSA-N

ID: 121158

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(O)(C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.098

InChIKey:
KLEYGMLWPGXILB-UHFFFAOYSA-N

ID: 121159

SMILES:
c1(O)c2c(cc(CO)c1CC(O)CCC)OC(C)(C)C1=CC(=O)C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.982

InChIKey:
XHNQHEZEJIOKGO-UHFFFAOYSA-N

ID: 121160

SMILES:
O(C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)C=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 346.511

CB1 binding score: -16.141

InChIKey:
BYMHZQMOAFLROO-UHFFFAOYSA-N

ID: 121161

SMILES:
C(=C)(C)C1CC(N=C)C(C)=CC1c1cc(C(O)=O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 353.506

CB1 binding score: -16.095

InChIKey:
DPMZEGHLJATTOK-UHFFFAOYSA-N

ID: 121162

SMILES:
C1(C)(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: 121163

SMILES:
C1C(C(=O)OC)=CCC2C(CC1C)C(=O)c1c(c(CCCCC)cc(O)c1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.644

InChIKey:
GOVHFIREEBQPIZ-UHFFFAOYSA-N

ID: 121164

SMILES:
c1c(CCCOC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.422

InChIKey:
GIAPGRRIJDHSGQ-UHFFFAOYSA-N

ID: 121165

SMILES:
C1(C)=CC(c2c(O)c3c(cc2CCCCC)cc(O)c(C=O)c3)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -14.239

InChIKey:
UXQGSBVGODCFOM-UHFFFAOYSA-N

ID: 121166

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(O)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 121167

SMILES:
C(CCc1ccc2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.942

InChIKey:
YEQDMQWLQQVTOT-UHFFFAOYSA-N

ID: 121168

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(CO)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 121169

SMILES:
C12C(C(=O)C(C)=CC1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.892

InChIKey:
WBFVHFCVGUDTNV-UHFFFAOYSA-N

ID: 121170

SMILES:
C(C)(=C)C1CCC(Oc2cc(CCCCCC)cc(O)c2CC=C(C)CC=CC(C)(C)O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.722

CB1 binding score: -16.444

InChIKey:
LZWAKORYTYCFQJ-UHFFFAOYSA-N

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121150–121170 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