ITCMDBv1
IngredientID 8609

(7s,8r)-dihydrodehydrodiconiferylalcohol-4-o-(beta-d-glucopyranoside

C16H14O3

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Relationship Network

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8609
Core Entity Id
12739
Source Entity Count
1
Preferred Name
(7s,8r)-dihydrodehydrodiconiferylalcohol-4-o-(beta-d-glucopyranoside
Name En
Pubchem Id
101040753
Smiles Canonical
CC1C(OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)O
Molecular Formula
C16H14O3
Molecular Weight
254.2850
Inchikey
WAURLMRAHQJPGC-HWPZZCPQSA-N
Inchi
InChI=1S/C16H14O3/c1-10-14-8-11(9-17)2-7-15(14)19-16(10)12-3-5-13(18)6-4-12/h2-10,16,18H,1H3/t10-,16+/m1/s1
Isomeric Smiles
C[C@H]1[C@H](OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)O
Cas Id
Ob Score
Mol Logp
3.4419
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
2
Drug Likeness
0.8350
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(7s,8r)-dihydrodehydrodiconiferylalcohol-4-o-(beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(7s,8r)-dihydrodehydrodiconiferylalcohol-4-o-(beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013475
Tcmid
4199542857
Pub Chem
101040753

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H14O3/c1-10-14-8-11(9-17)2-7-15(14)19-16(10)12-3-5-13(18)6-4-12/h2-10,16,18H,1H3/t10-,16+/m1/s1
Mol Wt
254.285
Mol Log P
3.441900000000003
In Ch Ikey
WAURLMRAHQJPGC-HWPZZCPQSA-N
Num Hdonors
1
Drug Likeness
0.835
Num Hacceptors
3
Isomeric Smiles
C[C@H]1[C@H](OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)O
Canonical Smiles
CC1C(OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)O
Molecular Formula
C16H14O3
Num Rotatable Bonds
2