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Molecule Identifiers
Molecular Properties

ID: 126484

SMILES:
C1C(C(C)=C)C(c2c(OC)cc(OC)cc2CC=C(C)C)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.479

InChIKey:
KLXWNPGLVIBWSG-UHFFFAOYSA-N

ID: 126485

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 126486

SMILES:
O(c1cc(CCc2cc(O)ccc2O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 394.511

CB1 binding score: -13.051

InChIKey:
VATXHWLTOGHXLT-UHFFFAOYSA-N

ID: 126487

SMILES:
C=C1CCCC(C)(C)C1c1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.305

InChIKey:
DEQDVKYJEHJSCT-UHFFFAOYSA-N

ID: 126488

SMILES:
CC(C)(C1=C(C)CCC2(C)C1Cc1c(cc(C)cc1O)O2)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.444

InChIKey:
LZFZGDXTKIXJDP-UHFFFAOYSA-N

ID: 126489

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 126490

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 126491

SMILES:
O=C1C(CC(O)=O)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.298

InChIKey:
PAKHLUOWVYSVBR-UHFFFAOYSA-N

ID: 126492

SMILES:
CC1(O)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -17.354

InChIKey:
UNLFZSQAOQBPOQ-UHFFFAOYSA-N

ID: 126493

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.92

InChIKey:
ASSRIDAUQKXTTG-UHFFFAOYSA-N

ID: 126494

SMILES:
CCCCCc1cc2c(cc1C)CC(O)C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.119

InChIKey:
BTFIOWGIBFBYNM-UHFFFAOYSA-N

ID: 126495

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: 126496

SMILES:
CC(CC(=O)c1ccc(OC)c(C2C=C(C)CCC2C(C)=C)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.929

InChIKey:
YQLUVMGFIZYXLD-UHFFFAOYSA-N

ID: 126497

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)CCCC12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.109

InChIKey:
BCTITUYYUXDOOY-UHFFFAOYSA-N

ID: 126498

SMILES:
C1CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 126499

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.888

InChIKey:
XRVSXBLYAUVVFC-UHFFFAOYSA-N

ID: 126500

SMILES:
C1(C)=C2C(C3(C)Oc4cc(C)cc(O)c4C3O2)CC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.3

CB1 binding score: -14.605

InChIKey:
YGZUDFVKKRMYCW-UHFFFAOYSA-N

ID: 126501

SMILES:
C1CC2C(C(CCC=C(C(O)=O)C)=C)CCC2(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -12.625

InChIKey:
VPIOXMCCZKITIE-UHFFFAOYSA-N

ID: 126502

SMILES:
C12CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 126503

SMILES:
C1(O)(C)CCC(C(C)=C)C(c2c(OC)c(O)c(O)cc2CCCC)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -15.635

InChIKey:
DXBOFBPLQJTBEA-UHFFFAOYSA-N

ID: 126504

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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126484–126504 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