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Molecule Identifiers
Molecular Properties

ID: 36289

SMILES:
C(=CC1Oc2c(c(O)cc(CCCC)c2)C2CC(C)(C)CCC12C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.609

InChIKey:
HTTHXKNKOXQDRX-UHFFFAOYSA-N

ID: 36290

SMILES:
c1(OC)c(OC)c2c(cc1C)OC(C)(C)C1CCC(C(=O)O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.956

InChIKey:
IEISHSOUMVKTNN-UHFFFAOYSA-N

ID: 36291

SMILES:
C1(=O)C(C)CCC2C(C)(C)Oc3c(c(OC)cc(C(CCCCC)O)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.249

InChIKey:
JULOEWPEKYSPKG-UHFFFAOYSA-N

ID: 36292

SMILES:
O1c2cc(CCCC)cc(O)c2C2CC(C)CCC2C1(CC=CC(C)(O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -14.627

InChIKey:
WECILCDQOXFLDX-UHFFFAOYSA-N

ID: 36293

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36294

SMILES:
c1(O)c(O)c2c(c(OC)c1C(C)C)C1C(C(C)(C)O2)CC(O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.454

CB1 binding score: -14.53

InChIKey:
CSMNBQQEQLVFQT-UHFFFAOYSA-N

ID: 36295

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(c1ccc(C(C)C)cc1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -15.385

InChIKey:
ZCXXQHAMESCUNH-UHFFFAOYSA-N

ID: 36296

SMILES:
C(CCCC)c1cc(O)c2c(c1C(O)=O)OC1CC(C(C)(C)O)OC1(CC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.557

CB1 binding score: -13.307

InChIKey:
FGLZWDSEXXMGDK-UHFFFAOYSA-N

ID: 36297

SMILES:
C1CC(C(CCC=C(C)C)C)C2C3C(C)(CC=C2C1C)Oc1cc(CCCCC)cc(O)c13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -15.058

InChIKey:
SRDQYMNDWDNART-UHFFFAOYSA-N

ID: 36298

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.067

InChIKey:
HAOQOBOYKDTCPK-UHFFFAOYSA-N

ID: 36299

SMILES:
CC(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.138

InChIKey:
BZHWTNCHQIQETM-UHFFFAOYSA-N

ID: 36300

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 36301

SMILES:
C(Cc1c2c(c(O)c(C)c1O)OC(C)(C)C1CCC(C)=CC21)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.627

InChIKey:
XJGLKVZCUXNNBL-UHFFFAOYSA-N

ID: 36302

SMILES:
C(C)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 36303

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CC(O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.459

InChIKey:
TXQQWUFSLMWXMY-UHFFFAOYSA-N

ID: 36304

SMILES:
C(CCCCc1cc2c(c(O)c1)C1CC(C)(CC(c3ccc(O)cc3O)=O)OC1(C)CCC1C(C)(C)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.71

CB1 binding score: -15.212

InChIKey:
PUDHHMQYWLKEGE-UHFFFAOYSA-N

ID: 36305

SMILES:
c1(O)cc(C)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 36306

SMILES:
c1(C(C)CC)c(O)c(C(=O)C(CC)C)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.463

InChIKey:
YWWSTELUNNJKAL-UHFFFAOYSA-N

ID: 36307

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c4c(cc(O)c32)C(=O)N(C(CCC=CCC=CC(N)=O)C)C4)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 464.606

CB1 binding score: -14.751

InChIKey:
UBSZGNYFBFUUGG-UHFFFAOYSA-N

ID: 36308

SMILES:
CC(C)C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.083

InChIKey:
TUJSWWIBRRDPKK-UHFFFAOYSA-N

ID: 36309

SMILES:
C(C(=CCc1c(CCCCC)ccc2c1OC(C)(C)C1C2CC(C)=CC1)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.681

CB1 binding score: -14.891

InChIKey:
LFRFJYJUQHBPRM-UHFFFAOYSA-N

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36289–36309 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