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Molecule Identifiers
Molecular Properties

ID: 114304

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.582

InChIKey:
RYBCXAHJHZXWFZ-UHFFFAOYSA-N

ID: 114305

SMILES:
C=C(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 114306

SMILES:
O=C(c1c(CCCC(=O)O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.906

InChIKey:
BFTWHIVTTDXJII-UHFFFAOYSA-N

ID: 114307

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.431

InChIKey:
KDPNQUBSLOERIS-UHFFFAOYSA-N

ID: 114308

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 114309

SMILES:
c1c(C(CCC2(C)C(O)CCC(C)(OCC)C)OC2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.607

CB1 binding score: -11.891

InChIKey:
YUYVMIDFXWIJIM-UHFFFAOYSA-N

ID: 114310

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 114311

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 114312

SMILES:
CC(C)C1=CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.493

InChIKey:
GOHCAWGXCQBVKC-UHFFFAOYSA-N

ID: 114313

SMILES:
CC(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.395

InChIKey:
IUFKFHXDESHJJW-UHFFFAOYSA-N

ID: 114314

SMILES:
CC(C)CCCC1(C)Oc2c(CCCCC)cc(O)cc2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -15.628

InChIKey:
IXPWKBHZWORTLF-UHFFFAOYSA-N

ID: 114315

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C=CC(C)CC=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -12.386

InChIKey:
NDTKXOLVNIMZLF-UHFFFAOYSA-N

ID: 114316

SMILES:
C1C(CO)=CC2c3c(O)c(C(=O)O)c(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -17.888

InChIKey:
PQLHCGPBCSGLBO-UHFFFAOYSA-N

ID: 114317

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114318

SMILES:
C(c1cc(O)c2c(c1)C(C(=C)C)CCC2C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.381

InChIKey:
QGNDDMYNBQQRIV-UHFFFAOYSA-N

ID: 114319

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.857

InChIKey:
ADVBWFBGNLNRPY-UHFFFAOYSA-N

ID: 114320

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)CCC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 114321

SMILES:
C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -12.301

InChIKey:
ZUUYZHXOXCSDGZ-UHFFFAOYSA-N

ID: 114322

SMILES:
c12cc(CCCCC)cc(O)c1C1C(CC2)C(CO)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.759

InChIKey:
WKFRKCGYNCEQMC-UHFFFAOYSA-N

ID: 114323

SMILES:
C12(Oc3c(c(O)cc(C)c3)C3C(=O)c4c1c(O)cc(O)c4C)OC3(C)CCC2C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.477

CB1 binding score: -13.612

InChIKey:
LFQXXOAELWISFD-UHFFFAOYSA-N

ID: 114324

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1O)C(=O)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.318

InChIKey:
XHJLSLGQBMEHML-UHFFFAOYSA-N

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114304–114324 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