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Molecule Identifiers
Molecular Properties

ID: 88222

SMILES:
c1(CCCC(C)=CCc2cc(O)c(C)cc2O)cc(CC=C(C)CCC=C(C)C)c(O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.216

InChIKey:
BSWJSUGWNGNIIB-UHFFFAOYSA-N

ID: 88223

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(O)C(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 88224

SMILES:
C1(CCC(=O)C)C2(C)CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -12.306

InChIKey:
VKBUYAUVJHQNNY-UHFFFAOYSA-N

ID: 88225

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -18.085

InChIKey:
UHPQVMVEJWPWDW-UHFFFAOYSA-N

ID: 88226

SMILES:
C1(Oc2c(O)c3c(cc2CCCCC)OC(C)(C)C2C3CCC2(C)O)C(O)C(O)C(O)C(CO)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.597

CB1 binding score: -15.889

InChIKey:
SDEBCYIQLRYUMI-UHFFFAOYSA-N

ID: 88227

SMILES:
CC(C)C1C2CC=C(C)C=C2c2c(O)c(C=O)c(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.552

InChIKey:
WDQIUVWTMMUSDI-UHFFFAOYSA-N

ID: 88228

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -17.663

InChIKey:
CSQHPIVHWLMAMS-UHFFFAOYSA-N

ID: 88229

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 88230

SMILES:
C12C(C)(Oc3c(c(O)cc(CCCCCC)c3)C1O)C(O)CC(C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.374

InChIKey:
BGXOJSNATBLWDB-UHFFFAOYSA-N

ID: 88231

SMILES:
O(C)c1cc2c(c(C)c1)C([N+](C)(C)CCO)CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.415

CB1 binding score: -15.331

InChIKey:
LNTSIUYWRCASCV-UHFFFAOYSA-N

ID: 88232

SMILES:
CC1(C)CCCC1(C)c1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -16.678

InChIKey:
KYEVRXOXZARKBY-UHFFFAOYSA-N

ID: 88233

SMILES:
C(C=C1c2c(OC(C)=O)cc(CCCCC)cc2OC(C)(C)C1O)C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.134

InChIKey:
XPWXHZUFDIEUNN-UHFFFAOYSA-N

ID: 88234

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 88235

SMILES:
C1C(C)(O)C=CC2C(C)(CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.751

InChIKey:
SWMULLIYIWGRJJ-UHFFFAOYSA-N

ID: 88236

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 88237

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C)CCC2C1=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.317

InChIKey:
RNOZCWSWZKXVOL-UHFFFAOYSA-N

ID: 88238

SMILES:
c12c3c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C)(C13)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.897

InChIKey:
UGJOEEDRYSFPHH-UHFFFAOYSA-N

ID: 88239

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 88240

SMILES:
C1C(C(C)=CCCC(=CCc2c(O)c(C)cc(O)c2)C)OC(C)(C)C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.427

InChIKey:
FCDLKDSLHPGZKR-UHFFFAOYSA-N

ID: 88241

SMILES:
C(CCC)CCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.813

InChIKey:
ACYKXGOCSZOBIO-UHFFFAOYSA-N

ID: 88242

SMILES:
C1=C(C)C(C)C2C(C(=O)O)(C3(C(=O)O2)c2c(O)cc(CCCCC)cc2O3)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.444

CB1 binding score: -15.959

InChIKey:
DYQQHDLRINUZAS-UHFFFAOYSA-N

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88222–88242 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