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
- 25530
- Core Entity Id
- 31573
- Source Entity Count
- 1
- Preferred Name
- Mallotophilippen e
- Name En
- Pubchem Id
- 10458296
- Smiles Canonical
- CC(=CCCC1(C=CC2=C(C(=C(C(=C2O1)C(=O)C=CC3=CC(=C(C=C3)O)O)O)CC=C(C)C)O)C)C
- Molecular Formula
- C30H34O6
- Molecular Weight
- 490.5960
- Inchikey
- SEHURCMYIALHJN-JLHYYAGUSA-N
- Inchi
- InChI=1S/C30H34O6/c1-18(2)7-6-15-30(5)16-14-22-27(34)21(11-8-19(3)4)28(35)26(29(22)36-30)24(32)13-10-20-9-12-23(31)25(33)17-20/h7-10,12-14,16-17,31,33-35H,6,11,15H2,1-5H3/b13-10+
- Isomeric Smiles
- CC(=CCCC1(C=CC2=C(C(=C(C(=C2O1)C(=O)/C=C/C3=CC(=C(C=C3)O)O)O)CC=C(C)C)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.8245
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mallotophilippen E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mallotophilippen E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mallotophilippen e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mallotophilippen e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
吕宋楸毛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LV SONG QIU MAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kamalatree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(RS)-mallotophilippen E
Role
alias
Source
HERB_v2
Preferred
No
Name
(RS)-mallotophilippen E
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66659
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66659
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:73097
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:73097
Role
alias
Source
HERB_v2
Preferred
No
Name
rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
吕宋楸毛LV SONG QIU MAOKamalatree(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one(E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one(RS)-mallotophilippen ECHEBI:66659CHEBI:73097rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034325
Npass
NPC298707
Tcmid
13430
Pub Chem
10458296
Tcmbank
TCMBANKIN043159
Etcm Ingredient
Mallotophilippen E
Itcmdb Generated
ITX-INGREDIENT-EEB01B37B687
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H34O6/c1-18(2)7-6-15-30(5)16-14-22-27(34)21(11-8-19(3)4)28(35)26(29(22)36-30)24(32)13-10-20-9-12-23(31)25(33)17-20/h7-10,12-14,16-17,31,33-35H,6,11,15H2,1-5H3/b13-10+
Mol Wt
490.5960000000002
Mol Log P
6.824500000000009
In Ch Ikey
SEHURCMYIALHJN-JLHYYAGUSA-N
Tcm Name
吕宋楸毛
Tcm Name2
LV SONG QIU MAO
Mol2 Path
/TCM_database/2007_3d_all/13437.mol2
Reference
2556
Num Hdonors
4
Tcm Name En
Kamalatree
Drug Likeness
0.14
Num Hacceptors
6
Isomeric Smiles
CC(=CCCC1(C=CC2=C(C(=C(C(=C2O1)C(=O)/C=C/C3=CC(=C(C=C3)O)O)O)CC=C(C)C)O)C)C
Canonical Smiles
CC(=CCCC1(C=CC2=C(C(=C(C(=C2O1)C(=O)C=CC3=CC(=C(C=C3)O)O)O)CC=C(C)C)O)C)C
Herb Alias Names
(RS)-mallotophilippen Erac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneCHEBI:66659CHEBI:73097(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one(E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Molecular Weight
490.240
Molecular Weight
490.6 g/mol
Molecular Formula
C30H34O6
Molecular Formula
C30H34O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.879
Quantitative Estimate Of Drug Likeness（Qed）
0.140