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Molecule Identifiers
Molecular Properties

ID: 63190

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.792

InChIKey:
UGRLMQVLYLFVDE-UHFFFAOYSA-N

ID: 63191

SMILES:
C1(Cl)C=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.822

CB1 binding score: -15.879

InChIKey:
RUCBGXLEBFBDGJ-UHFFFAOYSA-N

ID: 63192

SMILES:
O=C(O)Cc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.388

InChIKey:
YCPVZDZDYJRTCB-UHFFFAOYSA-N

ID: 63193

SMILES:
C1C(C)(C)C2C(C)(C3C(C)(Oc4cc(CCCCC)cc(O)c43)CC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.662

InChIKey:
LVDOCXVOEIPWBZ-UHFFFAOYSA-N

ID: 63194

SMILES:
c1(C2CC3C(C=C2C)CC(C)CO3)c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -13.35

InChIKey:
CENJWBBZTASIFO-UHFFFAOYSA-N

ID: 63195

SMILES:
C1=C(C=O)CCC(C(=C)C)C1c1c(O)cc(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -16.622

InChIKey:
PIJYUMGPCWSVHB-UHFFFAOYSA-N

ID: 63196

SMILES:
CC(=CCc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(COC(=O)C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -14.968

InChIKey:
WJCLHGOVJYVIHK-UHFFFAOYSA-N

ID: 63197

SMILES:
c1(C2C=C(C)CCC2C(=C)C)ccc(O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 63198

SMILES:
C1(C(=C)C)C2c3c(cc(CCCCC)cc3O)OC(CCC=C(C)C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.929

InChIKey:
RSLYJZMEXVUVNH-UHFFFAOYSA-N

ID: 63199

SMILES:
O(c1cc(OC)c(OC)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.886

InChIKey:
DPJLAXDUHLXNMI-UHFFFAOYSA-N

ID: 63200

SMILES:
C1(C)(CCC(=CCc2c(O)c(C)cc(OC)c2)C)CC=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -11.57

InChIKey:
KEUGGAUBQBPQKB-UHFFFAOYSA-N

ID: 63201

SMILES:
C(=O)(Oc1c(CCCCC)cc(O)c2c1CC(C(=C)C)CC2(CC=C(CCC=C(C)C)C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -14.575

InChIKey:
BRNGQKAOBAVMQK-UHFFFAOYSA-N

ID: 63202

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 63203

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -18.278

InChIKey:
AFODJVWWVFWANI-UHFFFAOYSA-N

ID: 63204

SMILES:
c1(OC(C)=O)cc(CCCCC)cc(OC(C)(C)C2CCC(C)=CC2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.407

InChIKey:
VIDMQNFRTZRGQQ-UHFFFAOYSA-N

ID: 63205

SMILES:
O(c1c2c(c(C(=O)C(C)C)cc1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.515

InChIKey:
MWDIWKVIDRSWLM-UHFFFAOYSA-N

ID: 63206

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.204

InChIKey:
MCOHBLINZXMLKV-UHFFFAOYSA-N

ID: 63207

SMILES:
c1c2c(c(CCC(=O)O)cc1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.489

InChIKey:
VHVBIOZEBRYRSX-UHFFFAOYSA-N

ID: 63208

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 63209

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 63210

SMILES:
C(CCc1cc2c(c(OC)c1)C1CC(C)=CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.935

InChIKey:
WQWOLTTULXLSHU-UHFFFAOYSA-N

3007300830093010301130123013
63190–63210 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