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Molecule Identifiers
Molecular Properties

ID: 88432

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 88433

SMILES:
C1c2c(cc(CCCCC)cc2O)OC(C)(C)C=CCC2(C)CCCC(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.308

InChIKey:
GKJANMXYPNMLBV-UHFFFAOYSA-N

ID: 88434

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCC)cc2OCC(O)C)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: Not available

InChIKey:
GBOVOQQTOHBYLX-UHFFFAOYSA-N

ID: 88435

SMILES:
C1=C(CO)CCC(C(C)=C)C1c1ccc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -15.769

InChIKey:
VKDOGISFKRDKPL-UHFFFAOYSA-N

ID: 88436

SMILES:
CC1(C)C2C(C=C(C)CC2)c2c(cc(CCCCCO)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.915

InChIKey:
LNEDOGQBWSHVNR-UHFFFAOYSA-N

ID: 88437

SMILES:
O1C2c3c(cc(O)c(CCC)c3)OC(C)(C)C3CCC(C)(C1)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.624

InChIKey:
MJZQXUCWSMIINY-UHFFFAOYSA-N

ID: 88438

SMILES:
c1(CCCCC)cc2c(c(O)c1)CC(CC=C(C)C)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -15.125

InChIKey:
XPETYPYBFQMENN-UHFFFAOYSA-N

ID: 88439

SMILES:
c1(O)c2c(c(C)c(C3C=C(C)C(O)CC3)c1)OC(C)(C)C1CCC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.74

InChIKey:
BJQBFCHIQPGYNT-UHFFFAOYSA-N

ID: 88440

SMILES:
C(CC)CCCc1cc(O)c(C2C=C(C(O)=O)CCC2C(O)(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: Not available

InChIKey:
YKKKJWXKXBFGPZ-UHFFFAOYSA-N

ID: 88441

SMILES:
CC1(CO)CC(c2c(O)cc(CCCCC)cc2O)CC2(O)C1(C)CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.518

InChIKey:
KXVAXUJVXUNHOU-UHFFFAOYSA-N

ID: 88442

SMILES:
COc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.038

InChIKey:
OTWWPDBRYIKCSY-UHFFFAOYSA-N

ID: 88443

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 88444

SMILES:
C12C(c3c(cc(C)cc3)OC1(C)C)CC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.589

InChIKey:
ILPMEUDSBVWXIW-UHFFFAOYSA-N

ID: 88445

SMILES:
c1c(CCCC(C)=CCc2cc(O)ccc2O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -14.006

InChIKey:
MXYBVMVFGFTMCK-UHFFFAOYSA-N

ID: 88446

SMILES:
C=C(C1CCC(C)=CC1c1cc(CO)ccc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.895

InChIKey:
JCJCYXYHJVNYGW-UHFFFAOYSA-N

ID: 88447

SMILES:
c12c(cc(Br)cc1O)OC1(C)CCC2C(CCCC(O)(C)C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 395.337

CB1 binding score: -13.772

InChIKey:
OSBANIHXTDCMRM-UHFFFAOYSA-N

ID: 88448

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C)(O2)CC2C(C(=C)C(=O)O2)CC=C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.826

InChIKey:
DWOAZJBNDATTGO-UHFFFAOYSA-N

ID: 88449

SMILES:
C1=C(C)COC1c1c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.802

InChIKey:
HCVCQQQSTWMOQV-UHFFFAOYSA-N

ID: 88450

SMILES:
CC1CC(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -12.694

InChIKey:
AZSCQXOTHAVXMW-UHFFFAOYSA-N

ID: 88451

SMILES:
c1c(O)cc(CCCCC)c2c1C1=C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.618

InChIKey:
CXQDMEXRUANWIS-UHFFFAOYSA-N

ID: 88452

SMILES:
C1(C)(CC(=O)C=C(C)C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.403

InChIKey:
BXLVLFAKMSWSGH-UHFFFAOYSA-N

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88432–88452 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