Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24148
- Core Entity Id
- 30026
- Source Entity Count
- 1
- Preferred Name
- Lanceolin
- Name En
- Pubchem Id
- 42607572
- Smiles Canonical
- COC1=C(C=CC(=C1O)C(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C22H24O11
- Molecular Weight
- 464.4230
- Inchikey
- NKUZBSSFPNODMD-GORDUTHDSA-N
- Inchi
- InChI=1S/C22H24O11/c1-31-21-15(32-22-20(30)19(29)18(28)16(9-23)33-22)7-4-11(17(21)27)12(24)5-2-10-3-6-13(25)14(26)8-10/h2-8,16,18-20,22-23,25-30H,9H2,1H3/b5-2+
- Isomeric Smiles
- COC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.1132
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lanceolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lanceolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lanceolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-3-methoxy-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-I2-D-glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-b-D-glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-I2-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-b-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
64181-95-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
64181-95-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:186229
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:186229
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120172
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120172
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-3-methoxy-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)prop-2-en-1-one(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-I2-D-glucopyranose1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-b-D-glucopyranose1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-I2-D-glucopyranose1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-b-D-glucopyranose64181-95-9CHEBI:186229LMPK12120172
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032606
Npass
NPC45197
Tcmid
12461
Pub Chem
42607572
Tcmbank
TCMBANKIN006997
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H24O11/c1-31-21-15(32-22-20(30)19(29)18(28)16(9-23)33-22)7-4-11(17(21)27)12(24)5-2-10-3-6-13(25)14(26)8-10/h2-8,16,18-20,22-23,25-30H,9H2,1H3/b5-2+
Mol Wt
464.4230000000001
Smiles
COC1=C(C=CC(=C1O)C(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Mol Log P
-0.1132000000000005
In Ch Ikey
NKUZBSSFPNODMD-GORDUTHDSA-N
Num Hdonors
7
Drug Likeness
0.165
Num Hacceptors
11
Isomeric Smiles
COC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1O)C(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Herb Alias Names
(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-b-D-glucopyranose1-O-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)-2-methoxy-3-hydroxyphenyl)-I2-D-glucopyranose1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-b-D-glucopyranose1-O-[4-[3-(3,4-Dihydroxyphenyl)acryloyl]-2-methoxy-3-hydroxyphenyl]-I2-D-glucopyranose(E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-3-methoxy-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)prop-2-en-1-oneCHEBI:186229LMPK1212017264181-95-9
Molecular Weight
464.4 g/mol
Molecular Formula
C22H24O11
Molecular Formula
C22H24O11
Num Rotatable Bonds
7