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Molecule Identifiers
Molecular Properties

ID: 74320

SMILES:
C12OC1C(C)c1c(c(C)c(OC(CCCCC)=O)cc1OC)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -11.526

InChIKey:
DLGDNDGUDWRTJB-UHFFFAOYSA-N

ID: 74321

SMILES:
C1CC(CO)CCC1Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.109

InChIKey:
UTOBNPCRPMKSFK-UHFFFAOYSA-N

ID: 74322

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc3c(c2O1)CN(C(C(=CC)C)=O)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 381.472

CB1 binding score: -14.584

InChIKey:
QHRCOYMZNBHYAT-UHFFFAOYSA-N

ID: 74323

SMILES:
Oc1cc2c(c(O)c1C(C)C)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.518

InChIKey:
XYTARFHDKQOXRR-UHFFFAOYSA-N

ID: 74324

SMILES:
c1(OC)c(OC)c(C2C=C(C)CCC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.855

InChIKey:
QMPFOJJQGALQET-UHFFFAOYSA-N

ID: 74325

SMILES:
C1(C)=CCC2C(C)(CCC(C(C)(O)C)OC(c3c(O)cc(C(C)O)c(C(=O)C)c3O)=O)C(C=C(C)C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.659

CB1 binding score: -12.552

InChIKey:
MJYWHMQMCLMGKL-UHFFFAOYSA-N

ID: 74326

SMILES:
O=C1C(c2c(O)cc(CCCCC)cc2O)C(C)(O)CC2CC2(C)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.381

InChIKey:
IIAZSEVZBNMYBL-UHFFFAOYSA-N

ID: 74327

SMILES:
C1C2C(C(C)OC(=O)C2c2ccccc2)C(c2cc3c(cc2)-c2c(cc(CCCCC)cc2O)OC3(C)C)=C(O)C1(CC=C(C)C)CCCC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 702.976

CB1 binding score: -15.157

InChIKey:
RUKMDZKUXLJSLZ-UHFFFAOYSA-N

ID: 74328

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(CO)C(=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.778

InChIKey:
UQPUAGROCZMHSP-UHFFFAOYSA-N

ID: 74329

SMILES:
C1C2(C)c3c(cc(CCCCC)cc3O)C(O)C3OC(C)(C)C4CCC1(C3)C24

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.314

InChIKey:
QTLBPKOEMACCFQ-UHFFFAOYSA-N

ID: 74330

SMILES:
c1(CCCCCC)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)nc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.512

CB1 binding score: -14.041

InChIKey:
AKBJWBCQLANKMJ-UHFFFAOYSA-N

ID: 74331

SMILES:
C12(C)CCC(C(C)C)C3Oc4c(c(O)cc(CCCCC)c4)C13O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.696

InChIKey:
AIOPZZPOZDKOBX-UHFFFAOYSA-N

ID: 74332

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.51

InChIKey:
ABUYMDYRFWRXCE-UHFFFAOYSA-N

ID: 74333

SMILES:
CC1(C=C)Oc2c(c(O)cc(CCC)c2)C2OC(=O)C(C)C2C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -18.146

InChIKey:
NFBXKSCSWISDPL-UHFFFAOYSA-N

ID: 74334

SMILES:
c1(CCc2cc(O)cc(O)c2)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C12O

Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 382.456

CB1 binding score: -15.875

InChIKey:
WQRCUOHTHNWENH-UHFFFAOYSA-N

ID: 74335

SMILES:
O(c1ccc(C2Oc3c(c(O)cc(CCCCC)c3)C(CC=C(C)C)C2CO)cc1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.907

InChIKey:
QDJXYEYWPXZCJL-UHFFFAOYSA-N

ID: 74336

SMILES:
c1(C2C(O)C(C)=CCC2C(C)C)c(O)cc(CC(O)CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 348.483

CB1 binding score: -15.077

InChIKey:
UPXKPYGCEWTELK-UHFFFAOYSA-N

ID: 74337

SMILES:
Oc1cc(CCCCC)cc2c1-c1ccccc1CC2COC(CC(C)=CCC1C(C)(C)CCC=C1C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.75

CB1 binding score: -15.064

InChIKey:
URVCPLYGTQNIDD-UHFFFAOYSA-N

ID: 74338

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.691

InChIKey:
JUCOHRGEXRGBDB-UHFFFAOYSA-N

ID: 74339

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1CC(C)(C)C3CCC(C)C13O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.848

InChIKey:
RSDPLTLUTJQJOV-UHFFFAOYSA-N

ID: 74340

SMILES:
C1CC(C(O)(C)C)Oc2c1cc(CCCCC)cc2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -18.072

InChIKey:
VVYPGKBSMUJIEM-UHFFFAOYSA-N

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74320–74340 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