IngredientID 13597

Cannabichromene

C21H30O2

Relationship Network

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Herb: 4Ingredient: 1Reference: 5Target: 12Links: 21

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 13597
Core Entity Id: 18284
Source Entity Count: 1
Preferred Name: Cannabichromene
Name En
Pubchem Id: 30219
Smiles Canonical: CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
Molecular Formula: C21H30O2
Molecular Weight: 314.4690
Inchikey: UVOLYTDXHDXWJU-UHFFFAOYSA-N
Inchi: InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
Isomeric Smiles: CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
Cas Id
Ob Score
Mol Logp: 6.0356
Num H Donors: 1
Num H Acceptors: 2
Num Rotatable Bonds: 7
Drug Likeness: 0.4910
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Cannabichromene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Cannabichromene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Cannabichromene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Cannabichromene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

cannabichromene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

( inverted exclamation markA)-Cannabichromene

Role

alias

Source

TCMBank

Preferred

Name

(+/-)-Cannabichromene

Role

alias

Source

TCMBank

Preferred

Name

(+/-)-Cannabichromene

Role

alias

Source

HERB_v2

Preferred

Name

(+/-)-Cannabichromene

Role

alias

Source

itcmdb_public

Preferred

Name

18793-28-7

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-chromen-5-ol

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol(cannabichromene)

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol

Role

alias

Source

TCMBank

Preferred

Name

2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol

Role

alias

Source

TCMBank

Preferred

Name

2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

Role

alias

Source

HERB_v2

Preferred

Name

2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

Role

alias

Source

itcmdb_public

Preferred

Name

20675-51-8

Role

alias

Source

TCMBank

Preferred

Name

20675-51-8

Role

alias

Source

HERB_v2

Preferred

Name

20675-51-8

Role

alias

Source

itcmdb_public

Preferred

Name

2H-1-Benzopyran-5-ol, (.+-.)-

Role

alias

Source

TCMBank

Preferred

Name

2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-

Role

alias

Source

TCMBank

Preferred

Name

2H-1-Benzopyran-5-ol,2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-

Role

alias

Source

TCMBank

Preferred

Name

4CN-2453

Role

alias

Source

TCMBank

Preferred

Name

AC1L1J1X

Role

alias

Source

TCMBank

Preferred

Name

AKOS032948832

Role

alias

Source

TCMBank

Preferred

Name

BC272060

Role

alias

Source

TCMBank

Preferred

Name

BDBM50318486

Role

alias

Source

TCMBank

Preferred

Name

C08998

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:3357

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:3357

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:3357

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL422704

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL422704

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL422704

Role

alias

Source

itcmdb_public

Preferred

Name

Cannabichchromene

Role

alias

Source

TCMBank

Preferred

Name

Cannabichrome

Role

alias

Source

itcmdb_public

Preferred

Name

Cannabichrome

Role

alias

Source

TCMBank

Preferred

Name

Cannabichrome

Role

alias

Source

HERB_v2

Preferred

Name

Cannabinochromene

Role

alias

Source

TCMBank

Preferred

Name

Cannabinochromene

Role

alias

Source

itcmdb_public

Preferred

Name

Cannabinochromene

Role

alias

Source

HERB_v2

Preferred

Name

Cannanbichromene

Role

alias

Source

TCMBank

Preferred

Name

Cannanbichromene

Role

alias

Source

itcmdb_public

Preferred

Name

Cannanbichromene

Role

alias

Source

HERB_v2

Preferred

Name

LS-39404

Role

alias

Source

TCMBank

Preferred

Name

MolPort-039-052-650

Role

alias

Source

TCMBank

Preferred

Name

NSC-291831

Role

alias

Source

TCMBank

Preferred

Name

Pentylcannabichromene

Role

alias

Source

HERB_v2

Preferred

Name

Pentylcannabichromene

Role

alias

Source

TCMBank

Preferred

Name

Pentylcannabichromene

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL144938

Role

alias

Source

TCMBank

Preferred

Name

UVOLYTDXHDXWJU-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

(2S)-7-Amyl-2-Methyl-2-(4-Methylpent-3-Enyl)Chromen-5-Ol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(2S)-7-amyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(2s)-7-amyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-5-chromenol

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL22095415

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

( inverted exclamation markA)-Cannabichromene(+/-)-Cannabichromene18793-28-72-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-chromen-5-ol2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol(cannabichromene)2-Methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol20675-51-82H-1-Benzopyran-5-ol, (.+-.)-2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-2H-1-Benzopyran-5-ol,2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-4CN-2453AC1L1J1XAKOS032948832BC272060BDBM50318486C08998CHEBI:3357CHEMBL422704CannabichchromeneCannabichromeCannabinochromeneCannanbichromeneLS-39404MolPort-039-052-650NSC-291831PentylcannabichromeneSCHEMBL144938UVOLYTDXHDXWJU-UHFFFAOYSA-N(2S)-7-Amyl-2-Methyl-2-(4-Methylpent-3-Enyl)Chromen-5-Ol(2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-5-chromenol(2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-olSCHEMBL22095415

Cross References

Trusted external identifiers retained for this final record.

Cas

20675-51-8

Hit

C0530

Herb

HBIN019550HBIN006786

Npass

NPC218753

Tcmid

3077

Tcmsp

MOL005029

Sym Map

SMIT14568SMIT06850

Tcm Id

5980

Pub Chem

3021921668219

Tcmbank

TCMBANKIN000012TCMBANKIN026606

Etcm Ingredient

Cannabichromene

Itcmdb Generated

ITX-INGREDIENT-B2C0F06A886B

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3

Mol Wt

314.4690000000001

Smiles

CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O

Mol Log P

6.035600000000007

Version

v1,v2

In Ch Ikey

UVOLYTDXHDXWJU-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.491

Num Hacceptors

Isomeric Smiles

CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O

Molecule Weight

314.51

Canonical Smiles

CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O

Herb Alias Names

20675-51-8CannabichromeCannanbichromenePentylcannabichromeneCannabinochromene(+/-)-Cannabichromene2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-olCHEBI:3357CHEMBL422704

Molecular Weight

314.220

Molecular Weight

314.5 g/mol

Molecule Formula

C21H30O2

Molecular Formula

C21H30O2

Molecular Formula

C21H30O2

Molecular Formula

C21H30O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.796

Quantitative Estimate Of Drug Likeness（Qed）

0.491