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Molecule Identifiers
Molecular Properties

ID: 130264

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 130265

SMILES:
C1C2(C(C)C)OC(C(C)(CC(c3c(O)cc(CCCCC)cc3O)=O)C2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.952

InChIKey:
ZRHZFHJJLCOPET-UHFFFAOYSA-N

ID: 130266

SMILES:
C(Cc1c(O)c2c(cc1CCCCC)OC(C)(C)c1ccc3c(c12)C(O)C=CC3=O)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -13.522

InChIKey:
SGFXOUFRZAALAZ-UHFFFAOYSA-N

ID: 130267

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 130268

SMILES:
c12c(O)cc(CCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 130269

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.618

CB1 binding score: -15.62

InChIKey:
GGVNNXDAHBTPOF-UHFFFAOYSA-N

ID: 130270

SMILES:
c12c(C)cc(CCCC)c(C)c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.34

InChIKey:
XICODPASDITOEP-UHFFFAOYSA-N

ID: 130271

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.957

InChIKey:
JJBMVXFZSLTKCL-UHFFFAOYSA-N

ID: 130272

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 130273

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 130274

SMILES:
O=c1c(CCC)cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)CC=C(C)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -13.749

InChIKey:
XVZCWJDNLJVUNZ-UHFFFAOYSA-N

ID: 130275

SMILES:
C1(=O)C2C(O)C(C(C)(C)O)CCC2(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.092

InChIKey:
GWRNKYWHSJXIIZ-UHFFFAOYSA-N

ID: 130276

SMILES:
Brc1c(CC=C(C)CCC(C(=C)C)Br)cc(OC(=O)C)c(C)c1Cl

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.652

CB1 binding score: -15.476

InChIKey:
RCOCAQMJKACOHV-UHFFFAOYSA-N

ID: 130277

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 130278

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130279

SMILES:
C(=CCc1cc(O)c(C)cc1OC(C)=O)(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.332

InChIKey:
HAXRQCRJABYNJC-UHFFFAOYSA-N

ID: 130280

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C1C(=O)OCC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -15.636

InChIKey:
OBXYVLLNVMQNID-UHFFFAOYSA-N

ID: 130281

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 130282

SMILES:
C1(=O)c2cccc(O)c2C2c3c(O)cc(C)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.376

CB1 binding score: -12.38

InChIKey:
OJWHZMATYGMDSZ-UHFFFAOYSA-N

ID: 130283

SMILES:
c12c(cc(C)cc1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.878

InChIKey:
GUXGXKFPIHIMLU-UHFFFAOYSA-N

ID: 130284

SMILES:
C(CCCc1ccc2c(c1)C=CC(CCC=C(C)C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.492

InChIKey:
LXKZTSFIVWNMFG-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties