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Molecule Identifiers
Molecular Properties

ID: 125329

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2(C)C=C(C=O)C1)CCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.874

InChIKey:
JTDOGSXTAXCRTK-UHFFFAOYSA-N

ID: 125330

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCC(O)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.653

InChIKey:
BAUFCAQNSLPYGF-UHFFFAOYSA-N

ID: 125331

SMILES:
C1(CC(=CCc2c(O)c(C)cc(OC)c2)C)CC=C(CCC=C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -13.689

InChIKey:
DLSBMVMTRQROGC-UHFFFAOYSA-N

ID: 125332

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 125333

SMILES:
C1(C)=CC2C(CC1O)C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.5

InChIKey:
RPLKKIAMEMEPBV-UHFFFAOYSA-N

ID: 125334

SMILES:
C(CCC(C)C)c1c(O)c2c(c(C(=O)CCC(C)C)c1O)OC(C)(C)C1C(O)CC(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.655

CB1 binding score: -14.605

InChIKey:
PPHMNMNXJQZUCP-UHFFFAOYSA-N

ID: 125335

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.594

InChIKey:
GBBIYEKUPBZPNQ-UHFFFAOYSA-N

ID: 125336

SMILES:
O1c2cc(O)cc(CCCCC)c2C2(C3(O)C4(O)C(O)(CCC(C(C)(C)CO)OC4(C)O3)C2C)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.592

CB1 binding score: -17.334

InChIKey:
NPWKSLDVACSNNI-UHFFFAOYSA-N

ID: 125337

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)CC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.771

InChIKey:
VGSHJKOXKGYENI-UHFFFAOYSA-N

ID: 125338

SMILES:
c12c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.002

InChIKey:
ITDDKOGKAGSKEJ-UHFFFAOYSA-N

ID: 125339

SMILES:
C(c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 125340

SMILES:
C1C(C)CC(c2cc(CCCCC)cc(O)c2O)C(C(C)C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -18.262

InChIKey:
NMDGIFNTYYQNIA-UHFFFAOYSA-N

ID: 125341

SMILES:
C(C(OC)C1=C(O)C2(Oc3c(c(OC)cc(CCCCC)c3)C(=O)C2)C(C)CC1=O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.698

CB1 binding score: -15.839

InChIKey:
VOTUVMFRHXHNHX-UHFFFAOYSA-N

ID: 125342

SMILES:
C1(c2ccc(O)cc2O)C(C(C)=C)CCC(C)=CC=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -13.548

InChIKey:
CPAHRAFNXHXPQV-UHFFFAOYSA-N

ID: 125343

SMILES:
c1c(CCC(O)=O)cc(O)c(O)c1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.866

InChIKey:
OFUSCMKMQDATHX-UHFFFAOYSA-N

ID: 125344

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 125345

SMILES:
C12CCC(C)=CC1c1c(cc(CCCCC)cc1O)OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.165

InChIKey:
MUXHYALLLRVRCD-UHFFFAOYSA-N

ID: 125346

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 125347

SMILES:
C1(OCC)C(C)CC2C1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.522

InChIKey:
KYXVLDWFMILPPZ-UHFFFAOYSA-N

ID: 125348

SMILES:
CC1(C)Oc2c3c(c(OCC4=C(C)CCCC4(C)C)cc2)C=CC1C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -15.174

InChIKey:
BESXVWSRNNCILY-UHFFFAOYSA-N

ID: 125349

SMILES:
c1(O)c2c(cc(CCCC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
IXZUQKJFDLWXNQ-UHFFFAOYSA-N

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125329–125349 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