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Molecule Identifiers
Molecular Properties

ID: 130243

SMILES:
CC(C)CC(O)(c1cc(O)c2c(c1)OC(C)(C)C1C(C2)C(C)=CC1=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.803

InChIKey:
XSNPIWYRWYARNH-UHFFFAOYSA-N

ID: 130244

SMILES:
CC1(C)C2c3c(O)cc(CCCCC)cc3OC2(C)CC(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.748

InChIKey:
VZCNVMVFIRXRPA-UHFFFAOYSA-N

ID: 130245

SMILES:
C(C1C(C)(C)O1)CC1(C)Oc2c(c(O)cc(C)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -19.337

InChIKey:
CPBHEJIKHIHMDY-UHFFFAOYSA-N

ID: 130246

SMILES:
OC1C2(O)C(CO)(Oc3cc(CCCCC)cc(O)c31)CCC(C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -13.242

InChIKey:
FABMQVBTZHVBEN-UHFFFAOYSA-N

ID: 130247

SMILES:
c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C(OC)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.564

InChIKey:
HJFRXDRZZDUGSB-UHFFFAOYSA-N

ID: 130248

SMILES:
CC1(C)OC2(C)Oc3c(c(O)cc(CCC)c3)C2C(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -14.831

InChIKey:
KXFRIVHDMLTODX-UHFFFAOYSA-N

ID: 130249

SMILES:
c1(CC(O)=O)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.123

InChIKey:
OJEXEXIMQPBJQS-UHFFFAOYSA-N

ID: 130250

SMILES:
CC1(C)Oc2cc(CCCC(CCC=C(C)C)C)c(O)cc2CC1Br

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 409.408

CB1 binding score: -16.273

InChIKey:
IDAZQVQSRHFBDD-UHFFFAOYSA-N

ID: 130251

SMILES:
C12CC(OC(=O)c3ccccc3N)C(O)(C)C1c1c(cc(CCC(C(N)=O)C)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.577

CB1 binding score: -16.179

InChIKey:
SZAHQEZVWIWFMR-UHFFFAOYSA-N

ID: 130252

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 130253

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(C)=CCCC2(C)C(C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.889

InChIKey:
XAVJWNTXVOUVQC-UHFFFAOYSA-N

ID: 130254

SMILES:
C12C(C(C)(C)Oc3ccc(CCCCC)cc31)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 130255

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 130256

SMILES:
C1(C)(C)C2CC=C(CO)CC2c2c(cc(O)c(C(=O)C(CC)C)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.192

InChIKey:
KSJKRTZOCHCCFO-UHFFFAOYSA-N

ID: 130257

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(=O)C=CC(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.588

InChIKey:
IQYUOLXPYGFOFC-UHFFFAOYSA-N

ID: 130258

SMILES:
C1(C2C(C(C)(OC(=O)C)C)CCC(C)=C2)=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -15.337

InChIKey:
KZHNERYEXONSSM-UHFFFAOYSA-N

ID: 130259

SMILES:
c1c(C(O)=NC)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.386

CB1 binding score: -15.55

InChIKey:
JMZLEYJHPUNGLD-UHFFFAOYSA-N

ID: 130260

SMILES:
c1(CS)ccc(O)c(O)c1-c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.524

CB1 binding score: -10.636

InChIKey:
LZUSDXZTDCBZHB-UHFFFAOYSA-N

ID: 130261

SMILES:
C(=O)(CCCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.688

InChIKey:
NIWQVWWMYLZDLF-UHFFFAOYSA-N

ID: 130262

SMILES:
C12C(C)C(C)CCC1(C)c1c(cc(CCCCC)cc1O)OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.106

InChIKey:
RTMWPBZJAWXYPS-UHFFFAOYSA-N

ID: 130263

SMILES:
C1CC(O)(C)C2C(c3c(O)cc(CCCCCC)cc3OC2(C)C)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.721

InChIKey:
VTMFTBHQJKZEAE-UHFFFAOYSA-N

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130243–130263 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