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Molecule Identifiers
Molecular Properties

ID: 103279

SMILES:
C(C)(C1Cc2c3c(c(CCC)cc2)C(=O)OC(C)(C)C3C1)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.842

InChIKey:
DVXONJZNALWNDB-UHFFFAOYSA-N

ID: 103280

SMILES:
C(CC1(C)C(C(C)=C)CCC2(C)C1C(=O)C=C1C2Cc2c(O)ccc(C)c2O1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -12.328

InChIKey:
CQHHHHNPJFGMCQ-UHFFFAOYSA-N

ID: 103281

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O1)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.813

InChIKey:
DCJGMCJLEWKZAK-UHFFFAOYSA-N

ID: 103282

SMILES:
c1(O)c2c(cc(C)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.696

InChIKey:
WNKDAZLOXAUXJL-UHFFFAOYSA-N

ID: 103283

SMILES:
Clc1cc(O)c2c(c1C[N+](C)(C)C)OC1(C)CCC(C(C)=C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.91

CB1 binding score: -12.626

InChIKey:
YMFSRLWAJBEFPS-UHFFFAOYSA-O

ID: 103284

SMILES:
C1(C)(C)Oc2cc(ccc2O)C2C(C(=C)C)CCC(C)=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -12.097

InChIKey:
YZMCFCKBSIKSSN-UHFFFAOYSA-N

ID: 103285

SMILES:
C1CC(C(C)=C)C(c2c(O)c(CC=C(C)C)c(CC(=O)C)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.195

InChIKey:
OICBIIDNQLDHDF-UHFFFAOYSA-N

ID: 103286

SMILES:
O1c2c(cc(CCCCC)cc2)CC(O)C1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.303

InChIKey:
HIMCXEAFAHUSNM-UHFFFAOYSA-N

ID: 103287

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.286

InChIKey:
VBGLQLUQKZRKHZ-UHFFFAOYSA-N

ID: 103288

SMILES:
CC(=O)OC1C(C)=CC2c3c(cc(CCCCCC)cc3OC)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: Not available

InChIKey:
VDFIBLMGIKLHKP-UHFFFAOYSA-N

ID: 103289

SMILES:
C(CCC)Cc1cc(O)c2c(c1)C1C(C(=C)C)(O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -12.31

InChIKey:
XYYSXFKJLFKLIX-UHFFFAOYSA-N

ID: 103290

SMILES:
O=C(CC(C#Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c2c1OC(C)(C)C(O)C2)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -11.401

InChIKey:
PYYHZZMSFQJYAT-UHFFFAOYSA-N

ID: 103291

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.875

InChIKey:
MABLLFKQVKWWPG-UHFFFAOYSA-N

ID: 103292

SMILES:
C(CC)CCc1c(C(O)=O)c(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 103293

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.431

InChIKey:
MPYZLGRISYKSDV-UHFFFAOYSA-N

ID: 103294

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(CCC=C(C)C)O1)CCC2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.519

InChIKey:
KINLFCHNAKFFIF-UHFFFAOYSA-N

ID: 103295

SMILES:
C1(C)CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.177

InChIKey:
AEOKTSRLUCDOSQ-UHFFFAOYSA-N

ID: 103296

SMILES:
C1C(=C(C)C)CC2C(C)(C1)Oc1c(c(OC)cc(CCCCC)c1)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -12.979

InChIKey:
ZMKGVAUQVAMINK-UHFFFAOYSA-N

ID: 103297

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 103298

SMILES:
C(C1=CCc2c(O)cc(CCCCC)cc2O1)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.162

InChIKey:
UHTHBTQBDJOJKW-UHFFFAOYSA-N

ID: 103299

SMILES:
O(C)c1cc(O)c(C(=O)CCCCCC)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.834

InChIKey:
YLBUPJQRSVOXGM-UHFFFAOYSA-N

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103279–103299 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