IngredientID 35462
(±)-trans-3-(4-hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
C23H26O4
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35462
- Core Entity Id
- 42606
- Source Entity Count
- 1
- Preferred Name
- (±)-trans-3-(4-hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
- Name En
- Pubchem Id
- 11394475
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CC2CCC=CC2C3=CC(=C(C=C3)O)OC)OC
- Molecular Formula
- C23H26O4
- Molecular Weight
- 366.4570
- Inchikey
- NNDAWFGRMQFDQC-BULUQRFKSA-N
- Inchi
- InChI=1S/C23H26O4/c1-25-21-13-9-16(14-23(21)27-3)8-10-17-6-4-5-7-19(17)18-11-12-20(24)22(15-18)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m1/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)/C=C/[C@H]2CCC=C[C@@H]2C3=CC(=C(C=C3)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 5.1812
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(±)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(E)-3,4-dimethoxy-styryl]cyclohex-1-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(±)-trans-3-(4-hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(±)-trans-3-(4-hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(±)-trans-3-(4-hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(±)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(E)-3,4-dimethoxy-styryl]cyclohex-1-ene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046672
Tcmid
10437
Pub Chem
11394475
Tcmbank
TCMBANKIN005226
Etcm Ingredient
(±)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(E)-3,4-dimethoxy-styryl]cyclohex-1-ene
Itcmdb Generated
ITX-INGREDIENT-B4E8A1B1C613
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26O4/c1-25-21-13-9-16(14-23(21)27-3)8-10-17-6-4-5-7-19(17)18-11-12-20(24)22(15-18)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m1/s1
Mol Wt
366.4570000000001
Smiles
COC1=C(C=C(C=C1)C=CC2CCC=CC2C3=CC(=C(C=C3)O)OC)OC
Mol Log P
5.181200000000006
In Ch Ikey
NNDAWFGRMQFDQC-BULUQRFKSA-N
Num Hdonors
1
Drug Likeness
0.716
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C(C=C1)/C=C/[C@H]2CCC=C[C@@H]2C3=CC(=C(C=C3)O)OC)OC
Canonical Smiles
COC1=C(C=C(C=C1)C=CC2CCC=CC2C3=CC(=C(C=C3)O)OC)OC
Molecular Weight
366.180
Molecular Formula
C23H26O4
Molecular Formula
C23H26O4
Molecular Formula
C23H26O4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.279
Quantitative Estimate Of Drug Likeness（Qed）
0.716