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Molecule Identifiers
Molecular Properties

ID: 9598

SMILES:
c12cc(CCCCC)cc(O)c1C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 9599

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.209

InChIKey:
HFMCWGJDNNARCD-UHFFFAOYSA-N

ID: 9600

SMILES:
C(CC)CCc1cc2c(c(O)c1)OC(C)(C)C1CC=C(CCC=C(C)CCC3C(C)(C)O3)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.678

CB1 binding score: -14.86

InChIKey:
HFZUQSSAFKZCBX-UHFFFAOYSA-N

ID: 9601

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc31)CC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.334

InChIKey:
YNNFYMQFHNFBDP-UHFFFAOYSA-N

ID: 9602

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C(O)(C)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.47

InChIKey:
GJTUSTFPHCMTJJ-UHFFFAOYSA-N

ID: 9603

SMILES:
CC1(C)CCCC2(c3c(O)cc(CCCCC)cc3OC2O)C1CCC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.655

InChIKey:
BPTMXSQDWKIBFM-UHFFFAOYSA-N

ID: 9604

SMILES:
c1(CCCCC)c2c(c3c(c1O)C(C)CC(CC=C(C)C)(C)C3)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.148

InChIKey:
SPBOZYGFKBXGCI-UHFFFAOYSA-N

ID: 9605

SMILES:
C1CC=C(C)CCC(C)C(=C)Cc2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -13.235

InChIKey:
YDOFPAZWODEWHO-UHFFFAOYSA-N

ID: 9606

SMILES:
CCCCCc1cc2c(c(O)c1)C=CC(C)(CCC=C(C)CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 9607

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(CCC1C)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.92

InChIKey:
QOXNVBHKZBSRFM-UHFFFAOYSA-N

ID: 9608

SMILES:
CC1(C=C)CC2c3c(O)cc(CCCCC)cc3OC3(C)CCC(C2C1)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.851

InChIKey:
QTARIPKXAGCONS-UHFFFAOYSA-N

ID: 9609

SMILES:
O1c2c(cc(CCCCC)cc2O)C=CC1(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 9610

SMILES:
C1=CC(C)(C)OC2=C(CC(O)C(C)(C)O)C(CC(=O)c3c(O)ccc(O)c3)(C)C1(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -15.276

InChIKey:
RBPFSLUADOTICW-UHFFFAOYSA-N

ID: 9611

SMILES:
C12(O)C(CCC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.89

InChIKey:
IDRHKXASCVUDQM-UHFFFAOYSA-N

ID: 9612

SMILES:
C(c1cc(O)c2c(c1C(O)=O)OC(C)(C)C1CCC(C)=CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.792

InChIKey:
IGXSZESWNIXNGL-UHFFFAOYSA-N

ID: 9613

SMILES:
C1CC2C(c3c(cc(CCCCC)c(C(O)=O)c3O)OC2(C)C)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 9614

SMILES:
c1(O)cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(=C)C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.858

InChIKey:
OFXJHRMIDHBUHN-UHFFFAOYSA-N

ID: 9615

SMILES:
C1(C)(C)C2CCC(C)C3(C(O)=C(C)C(=O)c4c(O)cc(CCCCC)cc43)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.091

InChIKey:
DTAFCAIPBHOMGQ-UHFFFAOYSA-N

ID: 9616

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 9617

SMILES:
C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 9618

SMILES:
C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -15.388

InChIKey:
FIWQWEWJTGOLEC-UHFFFAOYSA-N

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9598–9618 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