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Molecule Identifiers
Molecular Properties

ID: 137278

SMILES:
CC(C1CCC(C)=CC1c1c(O)c(C(OC)=O)c(CCCCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -16.855

InChIKey:
MEZQQCMDPVVDGS-UHFFFAOYSA-N

ID: 137279

SMILES:
C(O)CCc1cc(C=O)c2c(c1O)C1C=C(CO)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -13.002

InChIKey:
SVPGINDJTUXZJI-UHFFFAOYSA-N

ID: 137280

SMILES:
C(Cc1c(O)cc(CCCCC)c(C=O)c1O)=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.049

InChIKey:
UTQODHOHWHAWHC-UHFFFAOYSA-N

ID: 137281

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 137282

SMILES:
C(C(=CCc1c(O)cc(CCCCC)cc1O)C)(=O)CC(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.608

InChIKey:
RUVXUXNNGGNLIV-UHFFFAOYSA-N

ID: 137283

SMILES:
C1C2C(C)CCC(C(C)C)C2c2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.949

InChIKey:
SHTCUNMHFFJFEA-UHFFFAOYSA-N

ID: 137284

SMILES:
C1(C)(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137285

SMILES:
C(CCC)Cc1cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 137286

SMILES:
C1(=O)C2CC(C)(C)CC23C(c2c1cccc2)c1c(O)cc(C)cc1OC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.496

CB1 binding score: -16.694

InChIKey:
XMYUVPWOEGCFIY-UHFFFAOYSA-N

ID: 137287

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.696

InChIKey:
WUEBHOMMWUKSEU-UHFFFAOYSA-N

ID: 137288

SMILES:
CC1(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1C=CC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.017

InChIKey:
OWCJZNZXVMDXKB-UHFFFAOYSA-N

ID: 137289

SMILES:
CC(O)(C=CC(C(=CCCC(C)=CC1C(O)c2c(cc(CCC)cc2O)O1)C)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.769

InChIKey:
TZRYCXFWPXVLPS-UHFFFAOYSA-N

ID: 137290

SMILES:
C1(C=O)(C)C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -12.95

InChIKey:
ZRSZGDSAHZGSTK-UHFFFAOYSA-N

ID: 137291

SMILES:
Oc1cc(O)c(C=O)cc1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.38

InChIKey:
NNMCUDWDWIOUNG-UHFFFAOYSA-N

ID: 137292

SMILES:
C(C=C(C)CCC=C(C)CCC=C(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 137293

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.413

InChIKey:
RNYMLTZSOHQPLY-UHFFFAOYSA-N

ID: 137294

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 137295

SMILES:
Cc1c(CCN(C)C)c2c(c(O)c1)C(=O)C1(O)C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 375.509

CB1 binding score: -15.383

InChIKey:
QCBZSHPQWJXZFU-UHFFFAOYSA-N

ID: 137296

SMILES:
O=c1c2c(cc(CCCC(=O)C)cc1)OC1(C)CCC(C(O)(C)C)C3(O)C2C1=C(C)CC3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -12.664

InChIKey:
DWHFIRBNVYVIRW-UHFFFAOYSA-N

ID: 137297

SMILES:
C(C(C)CCC=C(C)C)CC1(C)CCc2c(C)cc(Oc3cc(C)cc(O)c3)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -14.786

InChIKey:
PDVUQHXGGGNHPR-UHFFFAOYSA-N

ID: 137298

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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137278–137298 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