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Molecule Identifiers
Molecular Properties

ID: 133288

SMILES:
Oc1ccc(-c2cc(O)c3c(c2)OC(C)(C)C2C3C(C(C)=C)CC2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -16.043

InChIKey:
YOGHTSJUBWNGFH-UHFFFAOYSA-N

ID: 133289

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C(=O)C2C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.519

InChIKey:
DNCXHHRPSYBSGX-UHFFFAOYSA-N

ID: 133290

SMILES:
C12CCC(C)=CC1c1c(O)c(Cl)c(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.304

InChIKey:
RGFVZKCIBAZCKF-UHFFFAOYSA-N

ID: 133291

SMILES:
c12c(cc(CCCCC)cc1O)oc1cc(O)c(CC=C(CCC=C(CCC=C(C)C)CO)C)c(O)c1o2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -14.809

InChIKey:
NORDWJDEFNWXEN-UHFFFAOYSA-N

ID: 133292

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C2C(C)(C)CCC(C(C)C)C2C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -13.629

InChIKey:
CBLKKFNDTFZPCA-UHFFFAOYSA-N

ID: 133293

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C(=C)C)CCC1(C)O2)=C(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.101

InChIKey:
FOCAMJZFBBAZOR-UHFFFAOYSA-N

ID: 133294

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 133295

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCO)c2C)C2C1C1(C)CCC2=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.607

InChIKey:
YKHBABFHDOUXGS-UHFFFAOYSA-N

ID: 133296

SMILES:
C1C2C(C=C(CO)C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 133297

SMILES:
C12C(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 133298

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.148

InChIKey:
HSFNSXDBDIXCPX-UHFFFAOYSA-N

ID: 133299

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 133300

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 133301

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -17.878

InChIKey:
KRMPZHOEHTYDJK-UHFFFAOYSA-N

ID: 133302

SMILES:
O(C)c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 133303

SMILES:
OC(C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 133304

SMILES:
c1(O)cc(CCCCC)cc2c1OC1C(C(C)C)CCC(C)(O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.883

InChIKey:
SWFYGYOHCQVYPD-UHFFFAOYSA-N

ID: 133305

SMILES:
Oc1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.996

InChIKey:
XXGMIHXASFDFSM-UHFFFAOYSA-N

ID: 133306

SMILES:
C(O)(=O)c1c(CC)c(O)c(C=O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -12.662

InChIKey:
RFLCGJIUCFRCBS-UHFFFAOYSA-N

ID: 133307

SMILES:
C1C(C)(C)C2CCC(CO)(CC)Oc3cc(C)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -12.742

InChIKey:
QZPNOVYBSQNZIN-UHFFFAOYSA-N

ID: 133308

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

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133288–133308 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