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Molecule Identifiers
Molecular Properties

ID: 124909

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C(C)CC1OC(=O)C(=C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: Not available

InChIKey:
VCXYDBLULWZALG-UHFFFAOYSA-N

ID: 124910

SMILES:
C(c1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.007

InChIKey:
UUIBVTGYARKTQS-UHFFFAOYSA-N

ID: 124911

SMILES:
C(CCc1cc(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.239

InChIKey:
DQXGMKXINAZDNE-UHFFFAOYSA-N

ID: 124912

SMILES:
c12cc(OC)c(O)cc1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -17.123

InChIKey:
GOPZNKFLPGKPRS-UHFFFAOYSA-N

ID: 124913

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.365

InChIKey:
ZZENIUIHIUNPST-UHFFFAOYSA-N

ID: 124914

SMILES:
O1c2cc(C)cc(O)c2CC(C=CC2C=C(C)CCC2C(C)=C)C1CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.255

InChIKey:
RSTHWPAZAFZULL-UHFFFAOYSA-N

ID: 124915

SMILES:
CC1(C)Oc2c(c(O)cc(C(C)C(=C)CCCCC)c2)CC2C(C)(O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.076

InChIKey:
YLLYWCDVSQKQLY-UHFFFAOYSA-N

ID: 124916

SMILES:
Oc1cc(CCCCC)cc(O)c1C1(C)C(C)CC=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -14.246

InChIKey:
AXICDXWOQNDVHZ-UHFFFAOYSA-N

ID: 124917

SMILES:
Clc1cc(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.778

CB1 binding score: -14.675

InChIKey:
PLGOVHCCFFEHAZ-UHFFFAOYSA-N

ID: 124918

SMILES:
C(CCCC)c1cc(OC)c(O)c2c1OC1(O)C(C)C(C)(C2CCC=C(C)C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -16.703

InChIKey:
MXOBRDKPRQVZDD-UHFFFAOYSA-N

ID: 124919

SMILES:
C(C(CCC=C(C)C)=CO)(c1c(O)cc(COc2cc(O)c(C3C=C(C)CCC3C(C)=C)c(OC)c2)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 548.72

CB1 binding score: -12.292

InChIKey:
XAAWBSXHZXIAMP-UHFFFAOYSA-N

ID: 124920

SMILES:
C1=C(C=O)C=CC2C(C)(C)Oc3ccc(O)c(c3)CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: Not available

InChIKey:
JEIWSOHHTTTZOE-UHFFFAOYSA-N

ID: 124921

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 124922

SMILES:
CC(=O)OCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.966

InChIKey:
HDMQBFMMKUDLMM-UHFFFAOYSA-N

ID: 124923

SMILES:
CC1CCCC12C(=O)C1=CCC(C)C1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.26

InChIKey:
VIRVBTAQSKEXKC-UHFFFAOYSA-N

ID: 124924

SMILES:
OC1=C(CC=C(C)C)C(=O)C=C(CC2=CC3C(C(C)(C)O2)CCC(C)=C3)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -12.841

InChIKey:
QOBVLIKXYFITJG-UHFFFAOYSA-N

ID: 124925

SMILES:
CC(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.637

InChIKey:
MSOKUORMHWHTDV-UHFFFAOYSA-N

ID: 124926

SMILES:
C1(C)=CC2C(C(C)(C)Oc3ccc(O)cc32)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.277

InChIKey:
GQGFNTIDIOATQF-UHFFFAOYSA-N

ID: 124927

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC2=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.608

InChIKey:
LOMBJKRHLSCWCO-UHFFFAOYSA-N

ID: 124928

SMILES:
c1(C)c(CCC)c2c(cc1O)C1C(=O)OC(C)(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.556

InChIKey:
WWDFKDGNNNJCMH-UHFFFAOYSA-N

ID: 124929

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CO)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -17.481

InChIKey:
RUCJJYDBJAIWNY-UHFFFAOYSA-N

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124909–124929 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