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Molecule Identifiers
Molecular Properties

ID: 135199

SMILES:
c1(O)cc(C)cc(OC)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.99

InChIKey:
JIAMDLHQCKSETM-UHFFFAOYSA-N

ID: 135200

SMILES:
c1c2c(cc(O)c1OCC=C(C)CCC=C(CCC=C(C)C)C)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.765

CB1 binding score: -16.804

InChIKey:
UTLKZFRVQRZTEH-UHFFFAOYSA-N

ID: 135201

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.196

InChIKey:
KPHQHZWTRLIJMP-UHFFFAOYSA-N

ID: 135202

SMILES:
C1CC(OC(c2ccc(N)cc2)=O)C(C)=CC2c3c(O)cc(CCCCC)cc3OC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 449.591

CB1 binding score: -17.678

InChIKey:
DBABVFVZIKCBOI-UHFFFAOYSA-N

ID: 135203

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 135204

SMILES:
CC(O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(=O)C(C)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.402

InChIKey:
VGRNLJXWOKDGOD-UHFFFAOYSA-N

ID: 135205

SMILES:
C12C(C=C(C)CC1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.723

InChIKey:
GTLUOHHHNMCIQP-UHFFFAOYSA-N

ID: 135206

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 135207

SMILES:
Oc1c(C(=O)O)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 135208

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: 135209

SMILES:
C1(C)=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: 135210

SMILES:
c1(C)cc(O)c2c(c1)OC(C)(C)C1=C(C2=O)C(=O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -15.526

InChIKey:
PTUALHWRYNTMCV-UHFFFAOYSA-N

ID: 135211

SMILES:
C(O)c1c(C(=O)O)c2c(c(C)c1OC1CC(O)C3OC3(C)C1)OC1C2(C)CC=C2C1c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.712

CB1 binding score: -16.502

InChIKey:
QLCAOZGTKMWEKA-UHFFFAOYSA-N

ID: 135212

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 135213

SMILES:
O1COc2c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.188

InChIKey:
DXYHZQSZHRRREP-UHFFFAOYSA-N

ID: 135214

SMILES:
C1(C)=CCC2(CC1)Oc1cc(CCCCCC)cc(OC)c1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.605

InChIKey:
ORUSUPGSTNBQOS-UHFFFAOYSA-N

ID: 135215

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.293

InChIKey:
YVNLRFQPVYADAP-UHFFFAOYSA-N

ID: 135216

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 135217

SMILES:
C(Cc1c(O)cc(O)cc1C)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -12.194

InChIKey:
YHQIKHUWVLEZMU-UHFFFAOYSA-N

ID: 135218

SMILES:
C(C(C)=CCCC(C)=CCOc1c(OC)cc2c(c1Oc1c(O)cc(CCCCC)cc1OC)OC2(C)C)OCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 596.805

CB1 binding score: -14.809

InChIKey:
XITOAWQRZHERAK-UHFFFAOYSA-N

ID: 135219

SMILES:
CC(C)C=CCC1(C)OC1CCC1(C)C=Cc2c(cc(C)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.519

InChIKey:
UICUDJMRTROBCB-UHFFFAOYSA-N

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135199–135219 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