Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17129
- Core Entity Id
- 22209
- Source Entity Count
- 1
- Preferred Name
- Dihydrodehydrodiconiferyl alcohol9'-o-glucoside
- Name En
- Pubchem Id
- 91595096
- Smiles Canonical
- CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O
- Molecular Formula
- C23H35NO3
- Molecular Weight
- 373.5370
- Inchikey
- OSAYGIDOEMCDEU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H35NO3/c1-18(25)14-10-8-6-4-3-5-7-9-11-17-21-23(27-2)22(26)19-15-12-13-16-20(19)24-21/h12-13,15-16,18,25H,3-11,14,17H2,1-2H3,(H,24,26)
- Isomeric Smiles
- CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 5.3610
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrodehydrodiconiferyl alcohol9'-o-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydrodehydrodiconiferyl alcohol9'-o-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dihydrodehydrodiconiferyl alcohol9'-o-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023870
Tcmid
5583
Pub Chem
91595096
Tcmbank
TCMBANKIN026642
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H35NO3/c1-18(25)14-10-8-6-4-3-5-7-9-11-17-21-23(27-2)22(26)19-15-12-13-16-20(19)24-21/h12-13,15-16,18,25H,3-11,14,17H2,1-2H3,(H,24,26)
Mol Wt
373.537
Smiles
CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O
Mol Log P
5.361000000000006
In Ch Ikey
OSAYGIDOEMCDEU-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.465
Num Hacceptors
3
Isomeric Smiles
CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O
Canonical Smiles
CC(CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O
Molecular Formula
C23H35NO3
Molecular Formula
C23H35NO3
Num Rotatable Bonds
13