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Molecule Identifiers
Molecular Properties

ID: 117265

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 117266

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(O)C(C(=C)C)CCC3(C)OC32)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.524

InChIKey:
MSCLDNUSMZSWAI-UHFFFAOYSA-N

ID: 117267

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 117268

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -17.465

InChIKey:
MNFUCKPLPYUBLD-UHFFFAOYSA-N

ID: 117269

SMILES:
C(=CCc1c(OC)cc(CCCCC)cc1O)(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 117270

SMILES:
C1(C)(CC)C(C(C)(O)C)CCC(C)=C1CCC1(C)Oc2c(C)cc(O)cc2CC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -15.174

InChIKey:
LPGGPFGOCILACC-UHFFFAOYSA-N

ID: 117271

SMILES:
O=C(C)CCC1C(CC(C)C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.929

InChIKey:
XLFHYXOODHXTID-UHFFFAOYSA-N

ID: 117272

SMILES:
C=C1Cc2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.231

InChIKey:
JJEMSDVSPBWGIR-UHFFFAOYSA-N

ID: 117273

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -19.327

InChIKey:
POLAAQOOJWAJDO-UHFFFAOYSA-N

ID: 117274

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C1C1OC(CCC=C1)C(C)(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.504

InChIKey:
OOZFUOOTWFOQQR-UHFFFAOYSA-N

ID: 117275

SMILES:
C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(CCC=C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.598

InChIKey:
LLENDDNLPXXHPV-UHFFFAOYSA-N

ID: 117276

SMILES:
C1(=O)CCC2C(C)(C)Oc3cc(CCCCC)cc(c32)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.69

InChIKey:
WQICRKQCSGHRDL-UHFFFAOYSA-N

ID: 117277

SMILES:
CC1(C)C(CC=C(C)C)Cc2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.088

InChIKey:
CRAGLENWUWSZRA-UHFFFAOYSA-N

ID: 117278

SMILES:
Oc1c(CC=C(C)CC2C=C(C)C(O)CC2C(C)=C)c(OC)c(OC)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.788

InChIKey:
IEXCXZLLYWCOIH-UHFFFAOYSA-N

ID: 117279

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.668

InChIKey:
LJTZIVODQNVVCC-UHFFFAOYSA-N

ID: 117280

SMILES:
C1C2C(COC1)Oc1cc(CCCCC)cc(O)c1C2C(C(C)C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -12.375

InChIKey:
FLPWVLFAIIYTBX-UHFFFAOYSA-N

ID: 117281

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 117282

SMILES:
C1(C)=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: 117283

SMILES:
C1(C)(C)CCCC(CC)=C1CCC(C)=CCc1c(O)cc(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.184

InChIKey:
DDIUUQKQOOYMDR-UHFFFAOYSA-N

ID: 117284

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 117285

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

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117265–117285 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