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Molecule Identifiers
Molecular Properties

ID: 126274

SMILES:
C1(c2cc(OC)c(O)cc2)c2c(cc(CCCC)cc2O)OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.723

InChIKey:
PUKCBFNAAITFKO-UHFFFAOYSA-N

ID: 126275

SMILES:
C(C)CCc1cc(O)c(C2C(C(C)=C)C(c3c(OCCNC)cc(O)c(CC=C)c2O3)C=C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 505.699

CB1 binding score: -16.401

InChIKey:
JFMGJJFREOUXER-UHFFFAOYSA-N

ID: 126276

SMILES:
c1(C)c(O)c(C2C(C(C)=C)CC=C(C)C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.268

InChIKey:
VKKZGMVTOCPBGX-UHFFFAOYSA-N

ID: 126277

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2OC)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 126278

SMILES:
c12cc(O)cc3c1CC(CC3CCCC(=O)C)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.748

InChIKey:
MTMDUOLHPIAYKT-UHFFFAOYSA-N

ID: 126279

SMILES:
CC12CCC(C)=CC1Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.951

InChIKey:
QIJFWGUFEBGITR-UHFFFAOYSA-N

ID: 126280

SMILES:
C1(C)=CC2(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.69

InChIKey:
MPYDMCXDBHAPAA-UHFFFAOYSA-N

ID: 126281

SMILES:
C1C(C)=CC2c3c(ccc(CCCCC)c3)OC(C2)C1C(OC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: Not available

InChIKey:
GIVPWAVKNJDXEG-UHFFFAOYSA-N

ID: 126282

SMILES:
c1(OC)c(O)cc(O)c(C2C=C(C)C(O)CC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.84

InChIKey:
JMBHBZCBIBRGHV-UHFFFAOYSA-N

ID: 126283

SMILES:
CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 126284

SMILES:
C1=C(C)C(=O)CCC(C)(Oc2cc(CCCCC)cc(O)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.441

InChIKey:
WQTQDJGLMKOCRK-UHFFFAOYSA-N

ID: 126285

SMILES:
C1=C(C)C(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.098

InChIKey:
VTDFSSRYYNIABR-UHFFFAOYSA-N

ID: 126286

SMILES:
C1(C(C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCCO)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.183

InChIKey:
DHWFEKIORADNSU-UHFFFAOYSA-N

ID: 126287

SMILES:
c1(C=CCOCC(C)=O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.693

InChIKey:
RPQXORCKOMZZRL-UHFFFAOYSA-N

ID: 126288

SMILES:
C(=C(C)C=C(C(C(c1cc(O)c2c(c1)OC(C)(C)C=C2)O)C)C)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.174

InChIKey:
ODUKROHGIALXES-UHFFFAOYSA-N

ID: 126289

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C(CCCCCC)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.35

InChIKey:
ADORZRHTXFLVHE-UHFFFAOYSA-N

ID: 126290

SMILES:
Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 126291

SMILES:
C(CCC1(C)C2CCC(C)=CC23c2c(cc(CCCCC)cc2O1)O3)C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.57

InChIKey:
SQXQDJPMNNCWHF-UHFFFAOYSA-N

ID: 126292

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.168

InChIKey:
OGQUFUKUTFQVAV-UHFFFAOYSA-N

ID: 126293

SMILES:
c1(O)c2c(cc(C)c1)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.296

InChIKey:
VDFPGOHCLBXAJM-UHFFFAOYSA-N

ID: 126294

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

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126274–126294 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