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Molecule Identifiers
Molecular Properties

ID: 114808

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC1C(C)(CC(C=C(C)C)O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.929

InChIKey:
PVPHEYBWXUDZKK-UHFFFAOYSA-N

ID: 114809

SMILES:
C(C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1)OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.144

InChIKey:
GKQVJARPAVXLHJ-UHFFFAOYSA-N

ID: 114810

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 114811

SMILES:
C(CC(C)CCCC1=CC(c2c(O)ccc(O)c2)CC(=O)C1)C(O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -11.831

InChIKey:
SELXMQGSSFXXJC-UHFFFAOYSA-N

ID: 114812

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114813

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.568

InChIKey:
JXULCRXRUMSDJX-UHFFFAOYSA-N

ID: 114814

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(COC(CC(=O)OC)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -16.32

InChIKey:
LPPINSSFSMOFKT-UHFFFAOYSA-N

ID: 114815

SMILES:
O=C(Oc1cc(CCCCC)cc2c1C(O)C(CC=C(C)C)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.365

InChIKey:
RAEFFSQGCUDWOJ-UHFFFAOYSA-N

ID: 114816

SMILES:
C1C2C(C)(C)Oc3ccc(O)cc3C2C=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 114817

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 383.596

CB1 binding score: -14.747

InChIKey:
GCVUBIDLYNQWDV-UHFFFAOYSA-N

ID: 114818

SMILES:
O=C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.838

InChIKey:
MZCPIXIAQUFSDR-UHFFFAOYSA-N

ID: 114819

SMILES:
C(=CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.696

CB1 binding score: -16.178

InChIKey:
WJXBDJYKCQOMNU-UHFFFAOYSA-N

ID: 114820

SMILES:
C1CC(C(C)=C)C(c2c(O)c(C(CCC)=O)c(O)c(C3C(C(C)=C)CCC(C)=C3)c2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -12.876

InChIKey:
GHJGGGNMDZGMGM-UHFFFAOYSA-N

ID: 114821

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 114822

SMILES:
C1CC(=O)c2c(cc(CCCCC)cc2OC(C)=O)C1C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.545

InChIKey:
BZQYHSMSDOCLED-UHFFFAOYSA-N

ID: 114823

SMILES:
C1(C)=CC(OC(=O)c2c(C)cc(OC)c(CCCCC)c2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.605

InChIKey:
ZFRZHYZBMFRMRJ-UHFFFAOYSA-N

ID: 114824

SMILES:
c12cc(O)ccc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 114825

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114826

SMILES:
CC1=CCC(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.269

InChIKey:
YQNXDINOLNHZCR-UHFFFAOYSA-N

ID: 114827

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 114828

SMILES:
O(c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.277

InChIKey:
WJABVLUXMBMMIO-UHFFFAOYSA-N

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114808–114828 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