IngredientID 24010

Kuwanon c

C25H26O6

Relationship Network

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Herb: 12Ingredient: 1Reference: 4Target: 12Links: 28

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24010
Core Entity Id: 29872
Source Entity Count: 1
Preferred Name: Kuwanon c
Name En
Pubchem Id: 5481958
Smiles Canonical: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C
Molecular Formula: C25H26O6
Molecular Weight: 422.4770
Inchikey: UWQYBLOHTQWSQD-UHFFFAOYSA-N
Inchi: InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
Isomeric Smiles: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C
Cas Id: 62949-79-5
Ob Score: 1.2196
Mol Logp: 5.2998
Num H Donors: 4
Num H Acceptors: 6
Num Rotatable Bonds: 5
Drug Likeness: 0.4150
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Kuwanon C

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Kuwanon c

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Kuwanon c

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

62949-79-5

Role

alias

Source

HERB_v2

Preferred

Name

62949-79-5

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL518543

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL518543

Role

alias

Source

itcmdb_public

Preferred

Name

KUWANON-C

Role

alias

Source

itcmdb_public

Preferred

Name

Kuwanon C, 4

Role

alias

Source

itcmdb_public

Preferred

Name

Kuwanon C, 4

Role

alias

Source

HERB_v2

Preferred

Name

Kuwanonc

Role

alias

Source

HERB_v2

Preferred

Name

Mulberrin

Role

alias

Source

HERB_v2

Preferred

Name

Mulberrin

Role

alias

Source

itcmdb_public

Preferred

Name

Norartocarpin

Role

alias

Source

HERB_v2

Preferred

Name

Norartocarpin

Role

alias

Source

itcmdb_public

Preferred

Name

19275-47-9

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromone

Role

alias

Source

TCMBank

Preferred

Name

4CN-2417

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-

Role

alias

Source

TCMBank

Preferred

Name

AC1NULGM

Role

alias

Source

TCMBank

Preferred

Name

ACon0_000342

Role

alias

Source

TCMBank

Preferred

Name

ACon1_001122

Role

alias

Source

TCMBank

Preferred

Name

AIDS-098108

Role

alias

Source

TCMBank

Preferred

Name

AKOS032948822

Role

alias

Source

TCMBank

Preferred

Name

BDBM50242015

Role

alias

Source

TCMBank

Preferred

Name

BRD-K55131635-001-01-3

Role

alias

Source

TCMBank

Preferred

Name

Cudraflavone C

Role

alias

Source

TCMBank

Preferred

Name

DTXSID20212148

Role

alias

Source

TCMBank

Preferred

Name

LMPK12110895

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4706134068

Role

alias

Source

TCMBank

Preferred

Name

MEGxp0_001037

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-741-195

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL3680736

Role

alias

Source

TCMBank

Preferred

Name

ZINC14727558

Role

alias

Source

TCMBank

Preferred

Name

kuwanon c

Role

alias

Source

TCMBank

Preferred

Name

mulberrin

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one62949-79-5CHEMBL518543KUWANON-CKuwanon C, 4KuwanoncMulberrinNorartocarpin19275-47-92-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-4-chromenone2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromone4CN-24174H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-AC1NULGMACon0_000342ACon1_001122AIDS-098108AKOS032948822BDBM50242015BRD-K55131635-001-01-3Cudraflavone CDTXSID20212148LMPK12110895MCULE-4706134068MEGxp0_001037MolPort-001-741-195SCHEMBL3680736ZINC14727558

Cross References

Trusted external identifiers retained for this final record.

Cas

19275-47-962949-79-5

Hit

C0170

Herb

HBIN032423HBIN035896

Npass

NPC96565

Tcmid

1503023078

Tcmsp

MOL000738MOL013170

Sym Map

SMIT00421SMIT13860SMIT16779

Tcm Id

25193113

Pub Chem

5481958

Tcmbank

TCMBANKIN058803

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3

Mol Wt

422.4770000000001

Cas Id

62949-79-519275-47-9

Smiles

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C

Mol Log P

5.299800000000005

Version

v1,v2

In Ch Ikey

UWQYBLOHTQWSQD-UHFFFAOYSA-N

Ob Score

1.2196030451.22

Suppress

Num Hdonors

Drug Likeness

0.415

Num Hacceptors

Isomeric Smiles

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C

Molecule Weight

422.51

Canonical Smiles

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C

Herb Alias Names

Mulberrin62949-79-5Norartocarpin2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-oneKuwanoncCHEMBL5185432-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-oneKuwanon C, 4KUWANON-C

Molecular Weight

422.47

Molecular Formula

C25H26O6

Molecular Formula

C25H26O6

Num Rotatable Bonds