Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32822
- Core Entity Id
- 39675
- Source Entity Count
- 1
- Preferred Name
- Scuteamoenin
- Name En
- Pubchem Id
- 195603
- Smiles Canonical
- COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=CC=C3O)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- SAJHRQBGZMZGMA-AWEZNQCLSA-N
- Inchi
- InChI=1S/C16H14O6/c1-21-8-5-11(19)16-12(20)7-14(22-13(16)6-8)15-9(17)3-2-4-10(15)18/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
- Isomeric Smiles
- COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=C(C=CC=C3O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5185
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Scuteamoenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Scuteamoenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Scuteamoenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
scuteamoenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2s)-5,2',6'-trihydroxy-7-methoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2s)-5,2',6'-trihydroxy-7-methoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
129138-49-4
Role
alias
Source
HERB_v2
Preferred
No
Name
129138-49-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',5,6'-Trihydroxy-7-methoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',5,6'-Trihydroxy-7-methoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30926305
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30926305
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one(2s)-5,2',6'-trihydroxy-7-methoxyflavanone(S)-2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one129138-49-42',5,6'-Trihydroxy-7-methoxyflavanone4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-DTXSID30926305
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043519
Npass
NPC69220
Tcmid
19565
Pub Chem
195603
Tcmbank
TCMBANKIN013858
Etcm Ingredient
Scuteamoenin
Itcmdb Generated
ITX-INGREDIENT-359EA4FE29B9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O6/c1-21-8-5-11(19)16-12(20)7-14(22-13(16)6-8)15-9(17)3-2-4-10(15)18/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Mol Wt
302.282
Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=CC=C3O)O)O
Mol Log P
2.518500000000002
In Ch Ikey
SAJHRQBGZMZGMA-AWEZNQCLSA-N
Num Hdonors
3
Drug Likeness
0.789
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=C(C=CC=C3O)O)O
Canonical Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=CC=C3O)O)O
Herb Alias Names
2',5,6'-Trihydroxy-7-methoxyflavanone129138-49-42',5,6'-trihydroxy-7-methoxy-flavanone(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-(S)-2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-oneDTXSID30926305(2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one(2s)-5,2',6'-trihydroxy-7-methoxyflavanone
Molecular Weight
302.080
Molecular Weight
302.28 g/mol
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.632
Quantitative Estimate Of Drug Likeness（Qed）
0.789