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Molecule Identifiers
Molecular Properties

ID: 139609

SMILES:
C(=C(CCC(O)C(O)(C)C)C)Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.445

CB1 binding score: -17.726

InChIKey:
VFRPPEAWJCUJJG-UHFFFAOYSA-N

ID: 139610

SMILES:
C12C(C)(OCC1C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.998

InChIKey:
CCXKDADAHKJZFI-UHFFFAOYSA-N

ID: 139611

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.445

CB1 binding score: -17.726

InChIKey:
VFRPPEAWJCUJJG-UHFFFAOYSA-N

ID: 139612

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 139613

SMILES:
CC(C)C1C2(O)C(O)C(C)(Oc3cc(CCCCC)cc(OC)c32)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.735

InChIKey:
ODAUUSKVAAZJMV-UHFFFAOYSA-N

ID: 139614

SMILES:
CC1(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 139615

SMILES:
C(CC1(C)C=Cc2c(O)cc(CCC)cc2O1)C(C1(C)OC1C(C1(C)OC1(C)C)=O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -10.882

InChIKey:
MMTCUOJWPUXSNU-UHFFFAOYSA-N

ID: 139616

SMILES:
C(CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 139617

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 139618

SMILES:
c1(OC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -19.386

InChIKey:
BCARDKDANZSKCJ-UHFFFAOYSA-N

ID: 139619

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.687

InChIKey:
WUKPITZIDDNGJC-UHFFFAOYSA-N

ID: 139620

SMILES:
C(C)(CCC=C(C)C)=CCOc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.834

InChIKey:
MZDFMVBBJWMFOY-UHFFFAOYSA-N

ID: 139621

SMILES:
CC(c1cc(O)c2c(c1)OC(CCCC(C)C(O)=O)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -14.895

InChIKey:
KSBZMKXVBIMZFE-UHFFFAOYSA-N

ID: 139622

SMILES:
c12c3c(c(C)cc1)CCC(C3)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 202.297

CB1 binding score: -17.753

InChIKey:
WUOGCWCOFRBZNZ-UHFFFAOYSA-N

ID: 139623

SMILES:
CC(C)C1[CH]CC(C)CC1c1ccc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.494

CB1 binding score: -15.318

InChIKey:
ZMVVPJSNQUGLKL-UHFFFAOYSA-N

ID: 139624

SMILES:
c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.056

InChIKey:
BASZVWQQTWCPJX-UHFFFAOYSA-N

ID: 139625

SMILES:
C(CCc1cc2c(c(O)c1)C1C(=O)CC(C(C)(C)O)CC1(C)C(C)C(O)C2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.656

CB1 binding score: -14.041

InChIKey:
RPSSLBOFPGLVPR-UHFFFAOYSA-N

ID: 139626

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.395

InChIKey:
KCFUKRVIVSAJDP-UHFFFAOYSA-N

ID: 139627

SMILES:
C12CC(C)(C)C(CC1)C2(c1c(O)cc(CCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -13.265

InChIKey:
VIJWFZXGDQTLOG-UHFFFAOYSA-N

ID: 139628

SMILES:
c1(OC)c(C)cc2c(c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.329

InChIKey:
TUZMAHQVFWXAGP-UHFFFAOYSA-N

ID: 139629

SMILES:
C1(C)(C)Oc2c(c(O)cc(Oc3ccc(C)cc3)c2CCCC(C=C)C)C2C1CCC2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -14.136

InChIKey:
UJIYHHOUYXDZTI-UHFFFAOYSA-N

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139609–139629 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