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Molecule Identifiers
Molecular Properties

ID: 131293

SMILES:
CC1(C)C2C1C1=C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: Not available

InChIKey:
PRFHFMUXWDNMNG-UHFFFAOYSA-N

ID: 131294

SMILES:
C1=C(C(=C)C)CCC(C)=c2cc(CCc3cc(O)cc(CCC)c3)c(OC)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -14.228

InChIKey:
JECIXVDOOAMHBZ-UHFFFAOYSA-N

ID: 131295

SMILES:
c12c(O)cc(O)c(CC=C(C)C)c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 328.452

CB1 binding score: -15.875

InChIKey:
DYXBPXKQBXDMBI-UHFFFAOYSA-N

ID: 131296

SMILES:
C(=O)(C12CC(OC(=O)C1(O)C)C(C)=C2)c1c(O)cc(CCCCC)cc1OC(C=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.535

CB1 binding score: -15.293

InChIKey:
QPZTZSGLDCXEQL-UHFFFAOYSA-N

ID: 131297

SMILES:
Oc1c(CC=C(C)C)c(O)c(C(=O)OC)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.511

InChIKey:
NWKGIQWUELXJSQ-UHFFFAOYSA-N

ID: 131298

SMILES:
NCCCc1cc(O)c(C2CC(C(=C)C)CCC3(C)OC23)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 331.456

CB1 binding score: -11.479

InChIKey:
QMKLHBHVZJKWLU-UHFFFAOYSA-N

ID: 131299

SMILES:
c1(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 131300

SMILES:
C1CCC2(C(=O)OC)c3c(O)cc(CCCCC)cc3OC1(C)OO2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.411

CB1 binding score: -12.209

InChIKey:
JHWPECKITKLWIR-UHFFFAOYSA-N

ID: 131301

SMILES:
C1C(C(C)=C)C(c2cc(CCCCC)cc(O)c2C=O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.256

InChIKey:
ORSNRLORKYJULT-UHFFFAOYSA-N

ID: 131302

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(CCC=C(C)C)cc1)CNc1ccc(S(O)(=O)=O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 563.76

CB1 binding score: -14.463

InChIKey:
PFTHOYSZNQPNJZ-UHFFFAOYSA-N

ID: 131303

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131304

SMILES:
C(C)(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -17.815

InChIKey:
DRUFHBDSPNWCGG-UHFFFAOYSA-N

ID: 131305

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 131306

SMILES:
CC(=C1C2oC(Cc3c(O)cc(CCCCC)cc3O2)C(O)=C(C)C1=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.139

InChIKey:
MWHRJDXZAQRDJM-UHFFFAOYSA-N

ID: 131307

SMILES:
c1(OC)c(C2C(C(O)(C)C)C(c3cc(CC=C)ccc3O)CC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -15.055

InChIKey:
NZJCSAJALDLCDP-UHFFFAOYSA-N

ID: 131308

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=CC=CC(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.686

InChIKey:
VSHKCQWSXIYPCU-UHFFFAOYSA-N

ID: 131309

SMILES:
O(C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1)C1C(O)C(O)C(O)C(CO)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.506

CB1 binding score: -16.483

InChIKey:
GQYBNMADCOVGHU-UHFFFAOYSA-N

ID: 131310

SMILES:
CCCCCc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)OC2)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.769

InChIKey:
IVLJJKIKFNXZHX-UHFFFAOYSA-N

ID: 131311

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C(CCC2C)C1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -12.564

InChIKey:
OUOVOLIQUZJEMZ-UHFFFAOYSA-N

ID: 131312

SMILES:
C12c3c(O)cc(CCCCCC)cc3OC(C)(C)C1CCC(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.427

InChIKey:
UTXVBEHMQGNODO-UHFFFAOYSA-N

ID: 131313

SMILES:
C12(C(C)CC(=O)C(C(CC(O)C3C(C)(C)O3)C)=C1O)C1=C(C(=O)C2)c2cccc(C)c2CC1CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.71

CB1 binding score: -15.929

InChIKey:
XTZHHAGCFUROTQ-UHFFFAOYSA-N

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131293–131313 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