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Molecule Identifiers
Molecular Properties

ID: 138244

SMILES:
C(CC)CCc1ccc(OC(C2CCC(C)=CC2)(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -17.334

InChIKey:
TWQDKKOMMSAJEZ-UHFFFAOYSA-N

ID: 138245

SMILES:
CCCCCc1cc(O)c(C2CC(O)(C)CCC2C(C)=C)c(O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.639

InChIKey:
GDHBHNYGKIELJH-UHFFFAOYSA-N

ID: 138246

SMILES:
C1(O)C2C3(C(C)C1)C(OC2(C)C)c1c(O)cc(CCCCC)cc1O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.952

InChIKey:
KVRQUVFSRIXXEU-UHFFFAOYSA-N

ID: 138247

SMILES:
C(CCc1cc2c(c(O)c1)CC1C(C)(C=CC(O)C1(C)C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.929

InChIKey:
PBCKOLAPWZWZDH-UHFFFAOYSA-N

ID: 138248

SMILES:
O=COCC1Cc2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.398

InChIKey:
RIEDNXOTMVBRDR-UHFFFAOYSA-N

ID: 138249

SMILES:
c1(O)c(OC)cc(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -18.436

InChIKey:
CHKCVHCTDJBPRD-UHFFFAOYSA-N

ID: 138250

SMILES:
C1(C)CC(=CC=O)C(C(=O)C(C)C)C1C(c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -15.523

InChIKey:
XMUPGVWOWZRWET-UHFFFAOYSA-N

ID: 138251

SMILES:
C(O)(c1c(O)cc(CC=C(C)CCC=C(C)C)c(OC)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: Not available

InChIKey:
XMIUERHMRLAAJH-UHFFFAOYSA-N

ID: 138252

SMILES:
C1(C)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.513

InChIKey:
YTVWRQUVFKUKDU-UHFFFAOYSA-N

ID: 138253

SMILES:
c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 138254

SMILES:
Oc1c(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.781

InChIKey:
GBIKWTSXCATWGA-UHFFFAOYSA-N

ID: 138255

SMILES:
C1(C(=O)O)=C2C(C3C(CO)CCC(C)(C)C3)(C(=O)C1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -12.482

InChIKey:
QIGIQMASSRBBOW-UHFFFAOYSA-N

ID: 138256

SMILES:
c1(O)c2c(cc(CCCCC)c1C)OC(C)(C)C1(O2)CCC(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -13.996

InChIKey:
HSDMLSQMJNYBAV-UHFFFAOYSA-N

ID: 138257

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 138258

SMILES:
CC1(C)C2C(CC(C)=CC2)c2ccc(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.589

InChIKey:
ILPMEUDSBVWXIW-UHFFFAOYSA-N

ID: 138259

SMILES:
C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.304

InChIKey:
MLCYRUTXUZZKHD-UHFFFAOYSA-N

ID: 138260

SMILES:
C1=C(C)CCC(c2c(O)cc(CCCCC)cc2OC)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.608

InChIKey:
RZRSURLNNHTBFZ-UHFFFAOYSA-N

ID: 138261

SMILES:
c1(O)c(O)c(C)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.957

InChIKey:
BDJDGHAJUAVGBE-UHFFFAOYSA-N

ID: 138262

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)(O)C)CCC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 138263

SMILES:
C=C(C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 138264

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C2CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.485

InChIKey:
PXVWCSGEMSUEKM-UHFFFAOYSA-N

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138244–138264 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