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
- 35509
- Core Entity Id
- 42659
- Source Entity Count
- 1
- Preferred Name
- (+)-trans-decursidinol
- Name En
- Pubchem Id
- 10355323
- Smiles Canonical
- CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C
- Molecular Formula
- C14H14O5
- Molecular Weight
- 262.2610
- Inchikey
- SLXYBYCLCBXBFK-OLZOCXBDSA-N
- Inchi
- InChI=1S/C14H14O5/c1-14(2)13(17)12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-14/h3-6,12-13,16-17H,1-2H3/t12-,13+/m1/s1
- Isomeric Smiles
- CC1([C@H]([C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C
- Cas Id
- Ob Score
- 11.2400
- Mol Logp
- 1.3583
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Trans-Decursidinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-Trans-Decursidinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-trans-Decursidinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-trans-Decursidinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-trans-decursidinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-trans-decursidinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50591779
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50591779
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5191516
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5191516
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-oneBDBM50591779CHEMBL5191516
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046748
Npass
NPC76753
Tcmsp
MOL013088
Sym Map
SMIT13786
Pub Chem
10355323
Tcmbank
TCMBANKIN017334
Etcm Ingredient
(+)-trans-Decursidinol
Itcmdb Generated
ITX-INGREDIENT-EA3FC0CFF47B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H14O5/c1-14(2)13(17)12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-14/h3-6,12-13,16-17H,1-2H3/t12-,13+/m1/s1
Mol Wt
262.261
Smiles
CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C
Mol Log P
1.3583
Version
v1,v2
In Ch Ikey
SLXYBYCLCBXBFK-OLZOCXBDSA-N
Ob Score
11.2411.24035411.24035429
Suppress
0
Num Hdonors
2
Drug Likeness
0.701
Num Hacceptors
5
Isomeric Smiles
CC1([C@H]([C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C
Molecule Weight
234.22
Canonical Smiles
CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C
Herb Alias Names
CHEMBL5191516BDBM50591779(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Molecular Weight
234.050
Molecular Weight
262.26 g/mol
Molecular Formula
C12H10O5
Molecular Formula
C14H14O5
Molecular Formula
C14H14O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.818
Quantitative Estimate Of Drug Likeness（Qed）
0.652