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Molecule Identifiers
Molecular Properties

ID: 130453

SMILES:
c12c(O)cc(CCCCC)cc1OC1(O)CCC(C(=C)C(O)=O)CC1(C)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -13.159

InChIKey:
MVLWSGXFNMRHBP-UHFFFAOYSA-N

ID: 130454

SMILES:
CC1(O)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.963

InChIKey:
DSNZBTMPMQRYNQ-UHFFFAOYSA-N

ID: 130455

SMILES:
c1c(O)c(C)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.792

InChIKey:
OVLCNLKQINIQNN-UHFFFAOYSA-N

ID: 130456

SMILES:
C1(O)=C(C(CC(O)=O)OC)c2c(O)cc(CCCCCC)cc2OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.438

CB1 binding score: -13.761

InChIKey:
KLJWXGQEVKQYKC-UHFFFAOYSA-N

ID: 130457

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 130458

SMILES:
c1(O)c2c(c(O)c(OC)c1CCCCCC)OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -14.291

InChIKey:
PLTYWACELVYDSA-UHFFFAOYSA-N

ID: 130459

SMILES:
C(CCC1(C)C=Cc2cc(O)cc(C)c2O1)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.502

InChIKey:
LGAIJDHJRKMCGE-UHFFFAOYSA-N

ID: 130460

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.387

InChIKey:
WZNHMUDQWIZILX-UHFFFAOYSA-N

ID: 130461

SMILES:
O1c2c(cc(C)c(CCCCC)c2)C2C=C(CO)CCC2C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 328.496

CB1 binding score: -15.047

InChIKey:
SWTLUEHUCHUNBZ-UHFFFAOYSA-N

ID: 130462

SMILES:
C1CC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1(C)CC=CC(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -16.701

InChIKey:
MANLXFZJMNYKLJ-UHFFFAOYSA-N

ID: 130463

SMILES:
C1C(C)=CC(c2c(O)cc(C)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 130464

SMILES:
O1c2c(c(OC)cc(CCCCC)c2Cc2ccc(O)c(CC=C(C)C)c2)CCC1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.755

CB1 binding score: -13.362

InChIKey:
ZYFATBZRTJSKIT-UHFFFAOYSA-N

ID: 130465

SMILES:
C(c1c2c(c(O)c(O)c1)C1C(C(C)(C)O2)CC(C(C)C)c2c3c(cc(C)c1-3)C(C)CO2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -15.242

InChIKey:
JTDAIJBHRITYCR-UHFFFAOYSA-N

ID: 130466

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130467

SMILES:
C(CC)CCc1cc(=O)c2c(c(C=O)c1O)OC1C(CCC(C)=CC2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.538

InChIKey:
BLOLDKDPQYAMOQ-UHFFFAOYSA-N

ID: 130468

SMILES:
c1(C(c2ccco2)C2C(C(C)=C)CC=C(C)C2)c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -17.267

InChIKey:
MAZKMTOSBGCOOJ-UHFFFAOYSA-N

ID: 130469

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 130470

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1C2CC(=C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.805

InChIKey:
HFJDQJBCCRDBKP-UHFFFAOYSA-N

ID: 130471

SMILES:
C1(C(C)=C)C(CCC(=O)O)(C)c2c(O)cc(CCCCC)cc2OC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.968

InChIKey:
WSHOEQNLSLBLDQ-UHFFFAOYSA-N

ID: 130472

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130473

SMILES:
c1(OC)c(OC)cc2c(c1)OC(C)(C)C1C2CC(COC(C)=O)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.973

InChIKey:
NOPCRPNZFCIEIV-UHFFFAOYSA-N

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130453–130473 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